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[ CAS No. 1379337-73-1 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 1379337-73-1
Chemical Structure| 1379337-73-1
Chemical Structure| 1379337-73-1
Structure of 1379337-73-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1379337-73-1 ]

CAS No. :1379337-73-1 MDL No. :MFCD19707599
Formula : C5H2Cl2N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :RHPOXXQUAPLUIU-UHFFFAOYSA-N
M.W : 192.99 Pubchem ID :70701203
Synonyms :

Calculated chemistry of [ 1379337-73-1 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 43.08
TPSA : 58.71 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.63 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.32
Log Po/w (XLOGP3) : 2.6
Log Po/w (WLOGP) : 2.3
Log Po/w (MLOGP) : 2.11
Log Po/w (SILICOS-IT) : 0.59
Consensus Log Po/w : 1.78

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.01
Solubility : 0.188 mg/ml ; 0.000972 mol/l
Class : Soluble
Log S (Ali) : -3.48
Solubility : 0.0636 mg/ml ; 0.00033 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.64
Solubility : 0.441 mg/ml ; 0.00229 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.24

Safety of [ 1379337-73-1 ]

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:
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