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[ CAS No. 1191908-38-9 ] {[proInfo.proName]}

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Chemical Structure| 1191908-38-9
Chemical Structure| 1191908-38-9
Structure of 1191908-38-9 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1191908-38-9 ]

CAS No. :1191908-38-9 MDL No. :MFCD08544166
Formula : C9H11Cl2N Boiling Point : -
Linear Structure Formula :- InChI Key :OCGZLBIOLHMGRO-UHFFFAOYSA-N
M.W : 204.10 Pubchem ID :52987724
Synonyms :

Calculated chemistry of [ 1191908-38-9 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 53.75
TPSA : 26.02 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.68 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.63
Log Po/w (WLOGP) : 2.76
Log Po/w (MLOGP) : 2.66
Log Po/w (SILICOS-IT) : 2.58
Consensus Log Po/w : 2.13

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.13
Solubility : 0.151 mg/ml ; 0.000737 mol/l
Class : Soluble
Log S (Ali) : -2.83
Solubility : 0.304 mg/ml ; 0.00149 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.25
Solubility : 0.116 mg/ml ; 0.000568 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.02

Safety of [ 1191908-38-9 ]

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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