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[ CAS No. 2065232-74-6 ]

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3d Animation Molecule Structure of 2065232-74-6
Chemical Structure| 2065232-74-6
Chemical Structure| 2065232-74-6
Structure of 2065232-74-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 2065232-74-6 ]

CAS No. :2065232-74-6 MDL No. :MFCD31580046
Formula : C12H10O2 Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :186.21 g/mol Pubchem ID :-
Synonyms :

Calculated chemistry of of [ 2065232-74-6 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 57.4
TPSA : 34.14 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.73 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.9
Log Po/w (XLOGP3) : 2.4
Log Po/w (WLOGP) : 2.38
Log Po/w (MLOGP) : 1.8
Log Po/w (SILICOS-IT) : 3.81
Consensus Log Po/w : 2.46

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.56
Solubility : 0.513 mg/ml ; 0.00276 mol/l
Class : Soluble
Log S (Ali) : -2.76
Solubility : 0.325 mg/ml ; 0.00174 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.19
Solubility : 0.121 mg/ml ; 0.000649 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.82

Safety of [ 2065232-74-6 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
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