Home Cart 0 Sign in  
X

[ CAS No. 1016768-00-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1016768-00-5
Chemical Structure| 1016768-00-5
Chemical Structure| 1016768-00-5
Structure of 1016768-00-5 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 1016768-00-5 ]

Related Doc. of [ 1016768-00-5 ]

Alternatived Products of [ 1016768-00-5 ]

Product Details of [ 1016768-00-5 ]

CAS No. :1016768-00-5 MDL No. :MFCD09813752
Formula : C7H6ClFN2O Boiling Point : -
Linear Structure Formula :- InChI Key :ISOHDQPNKZKLST-UHFFFAOYSA-N
M.W : 188.59 Pubchem ID :20114809
Synonyms :

Calculated chemistry of [ 1016768-00-5 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 42.31
TPSA : 55.12 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.31 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.64
Log Po/w (XLOGP3) : 1.6
Log Po/w (WLOGP) : 1.5
Log Po/w (MLOGP) : 2.16
Log Po/w (SILICOS-IT) : 1.28
Consensus Log Po/w : 1.43

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.26
Solubility : 1.05 mg/ml ; 0.00556 mol/l
Class : Soluble
Log S (Ali) : -2.37
Solubility : 0.806 mg/ml ; 0.00428 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.94
Solubility : 0.219 mg/ml ; 0.00116 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.49

Safety of [ 1016768-00-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 1016768-00-5 ]

Fluorinated Building Blocks

Chemical Structure| 104326-94-5

[ 104326-94-5 ]

3-Chloro-2-fluorobenzamide

Similarity: 0.86

Chemical Structure| 874781-06-3

[ 874781-06-3 ]

3-Chloro-5-fluorobenzamide

Similarity: 0.83

Chemical Structure| 446-24-2

[ 446-24-2 ]

2-Fluorobenzohydrazide

Similarity: 0.82

Chemical Structure| 445-28-3

[ 445-28-3 ]

2-Fluorobenzamide

Similarity: 0.74

Chemical Structure| 886502-14-3

[ 886502-14-3 ]

2-Fluoro-6-methylbenzamide

Similarity: 0.74

Aryls

Chemical Structure| 104326-94-5

[ 104326-94-5 ]

3-Chloro-2-fluorobenzamide

Similarity: 0.86

Chemical Structure| 874781-06-3

[ 874781-06-3 ]

3-Chloro-5-fluorobenzamide

Similarity: 0.83

Chemical Structure| 446-24-2

[ 446-24-2 ]

2-Fluorobenzohydrazide

Similarity: 0.82

Chemical Structure| 1673-47-8

[ 1673-47-8 ]

3-Chlorobenzhydrazide

Similarity: 0.75

Chemical Structure| 536-40-3

[ 536-40-3 ]

4-Chlorobenzhydrazide

Similarity: 0.75

Chlorides

Chemical Structure| 104326-94-5

[ 104326-94-5 ]

3-Chloro-2-fluorobenzamide

Similarity: 0.86

Chemical Structure| 874781-06-3

[ 874781-06-3 ]

3-Chloro-5-fluorobenzamide

Similarity: 0.83

Chemical Structure| 1673-47-8

[ 1673-47-8 ]

3-Chlorobenzhydrazide

Similarity: 0.75

Chemical Structure| 536-40-3

[ 536-40-3 ]

4-Chlorobenzhydrazide

Similarity: 0.75

Chemical Structure| 61072-56-8

[ 61072-56-8 ]

4-Chloro-2-fluorobenzaldehyde

Similarity: 0.74

Amides

Chemical Structure| 104326-94-5

[ 104326-94-5 ]

3-Chloro-2-fluorobenzamide

Similarity: 0.86

Chemical Structure| 874781-06-3

[ 874781-06-3 ]

3-Chloro-5-fluorobenzamide

Similarity: 0.83

Chemical Structure| 446-24-2

[ 446-24-2 ]

2-Fluorobenzohydrazide

Similarity: 0.82

Chemical Structure| 1673-47-8

[ 1673-47-8 ]

3-Chlorobenzhydrazide

Similarity: 0.75

Chemical Structure| 536-40-3

[ 536-40-3 ]

4-Chlorobenzhydrazide

Similarity: 0.75

Hydrazides

Chemical Structure| 446-24-2

[ 446-24-2 ]

2-Fluorobenzohydrazide

Similarity: 0.82

Chemical Structure| 1673-47-8

[ 1673-47-8 ]

3-Chlorobenzhydrazide

Similarity: 0.75

Chemical Structure| 536-40-3

[ 536-40-3 ]

4-Chlorobenzhydrazide

Similarity: 0.75

Chemical Structure| 456-06-4

[ 456-06-4 ]

4-Fluorobenzohydrazide

Similarity: 0.74

Chemical Structure| 887267-55-2

[ 887267-55-2 ]

2-(2-Chloro-4-fluorophenyl)acetohydrazide

Similarity: 0.72

Amines

Chemical Structure| 104326-94-5

[ 104326-94-5 ]

3-Chloro-2-fluorobenzamide

Similarity: 0.86

Chemical Structure| 874781-06-3

[ 874781-06-3 ]

3-Chloro-5-fluorobenzamide

Similarity: 0.83

Chemical Structure| 446-24-2

[ 446-24-2 ]

2-Fluorobenzohydrazide

Similarity: 0.82

Chemical Structure| 1673-47-8

[ 1673-47-8 ]

3-Chlorobenzhydrazide

Similarity: 0.75

Chemical Structure| 536-40-3

[ 536-40-3 ]

4-Chlorobenzhydrazide

Similarity: 0.75

Hydrazines

Chemical Structure| 446-24-2

[ 446-24-2 ]

2-Fluorobenzohydrazide

Similarity: 0.82

Chemical Structure| 1673-47-8

[ 1673-47-8 ]

3-Chlorobenzhydrazide

Similarity: 0.75

Chemical Structure| 536-40-3

[ 536-40-3 ]

4-Chlorobenzhydrazide

Similarity: 0.75

Chemical Structure| 456-06-4

[ 456-06-4 ]

4-Fluorobenzohydrazide

Similarity: 0.74

Chemical Structure| 887267-55-2

[ 887267-55-2 ]

2-(2-Chloro-4-fluorophenyl)acetohydrazide

Similarity: 0.72