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[ CAS No. 32493-79-1 ] {[proInfo.proName]}

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Chemical Structure| 32493-79-1
Chemical Structure| 32493-79-1
Structure of 32493-79-1 * Storage: {[proInfo.prStorage]}

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Product Details of [ 32493-79-1 ]

CAS No. :32493-79-1 MDL No. :MFCD18449257
Formula : C6H6Cl2N2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :ZSOPOANLAMBETK-UHFFFAOYSA-N
M.W : 177.03 Pubchem ID :12827800
Synonyms :

Calculated chemistry of [ 32493-79-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 41.98
TPSA : 25.78 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) : -5.6 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.1
Log Po/w (XLOGP3) : 2.51
Log Po/w (WLOGP) : 2.4
Log Po/w (MLOGP) : 1.09
Log Po/w (SILICOS-IT) : 3.05
Consensus Log Po/w : 2.23

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.96
Solubility : 0.193 mg/ml ; 0.00109 mol/l
Class : Soluble
Log S (Ali) : -2.7
Solubility : 0.356 mg/ml ; 0.00201 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.66
Solubility : 0.0391 mg/ml ; 0.000221 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.18

Safety of [ 32493-79-1 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
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