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[ CAS No. 1373253-20-3 ] {[proInfo.proName]}

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Chemical Structure| 1373253-20-3
Chemical Structure| 1373253-20-3
Structure of 1373253-20-3 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1373253-20-3 ]

CAS No. :1373253-20-3 MDL No. :MFCD22194318
Formula : C3H7ClN2O Boiling Point : -
Linear Structure Formula :- InChI Key :DCQHTUPOWLBQSF-UHFFFAOYSA-N
M.W : 122.55 Pubchem ID :56965782
Synonyms :

Calculated chemistry of [ 1373253-20-3 ]

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.67
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 35.02
TPSA : 41.13 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.18 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -0.19
Log Po/w (WLOGP) : -1.3
Log Po/w (MLOGP) : -0.79
Log Po/w (SILICOS-IT) : 0.39
Consensus Log Po/w : -0.38

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.48
Solubility : 40.6 mg/ml ; 0.331 mol/l
Class : Very soluble
Log S (Ali) : -0.22
Solubility : 74.2 mg/ml ; 0.606 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.6
Solubility : 31.1 mg/ml ; 0.254 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.04

Safety of [ 1373253-20-3 ]

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
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