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[ CAS No. 655255-09-7 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 655255-09-7
Chemical Structure| 655255-09-7
Chemical Structure| 655255-09-7
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Product Details of [ 655255-09-7 ]

CAS No. :655255-09-7 MDL No. :MFCD09834944
Formula : C6H3ClN2O Boiling Point : -
Linear Structure Formula :- InChI Key :OVOINUKCVYVMEF-UHFFFAOYSA-N
M.W : 154.55 Pubchem ID :17965852
Synonyms :

Calculated chemistry of [ 655255-09-7 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 36.81
TPSA : 38.92 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) : -6.07 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.81
Log Po/w (XLOGP3) : 1.65
Log Po/w (WLOGP) : 1.88
Log Po/w (MLOGP) : 0.37
Log Po/w (SILICOS-IT) : 2.11
Consensus Log Po/w : 1.56

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.5
Solubility : 0.485 mg/ml ; 0.00314 mol/l
Class : Soluble
Log S (Ali) : -2.08
Solubility : 1.28 mg/ml ; 0.0083 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.14
Solubility : 0.111 mg/ml ; 0.000721 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.2

Safety of [ 655255-09-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:
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