(5-Chloro-2-hydroxyphenyl)(2-chlorophenyl)methanone

(5-Chloro-2-hydroxyphenyl)(2-chlorophenyl)methanone

Cat. No.: PI61785351

(5-Chloro-2-hydroxyphenyl)(2-chlorophenyl)methanone
Product Details Other Identifiers Computed Properties
CAS 61785-35-1
Purity 97%
Molecular Formula C13H8Cl2O2
Molecular Weight 267.11
Molar Refractivity 68.36
Pubchem ID 2735995
InChI Key OSXVZDOVYCTYCW-UHFFFAOYSA-N
MDL Number MFCD02682994
Hydrogen Bond Donor Count 1.0
Hydrogen Bond Acceptor Count 2.0
Rotatable Bond Count 2
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 17
Aromatic Heavy Atoms Number 12
Fraction Csp3 0.0
Log Po/w (iLOGP) 2.38
Log Po/w (XLOGP3) 4.58
Log Po/w (WLOGP) 3.93
Log Po/w (MLOGP) 3.39
Log Po/w (SILICOS-IT) 4.16
Consensus Log Po/w 3.69
GI Absorption High
BBB Permeant Yes
P-gp Substrate No
CYP1A2Inhibitor Yes
CYP2C19Inhibitor Yes
CYP2C9Inhibitor Yes
CYP2D6Inhibitor No
CYP3A4Inhibitor No
Log Kp (Skin Permeation) -4.68 cm/s
Lipinski 0.0
Ghose None
Veber 0.0
Egan 0.0
Muegge 0.0
Bioavailability Score 0.55
PAINS 0.0 alert
Brenk 0.0 alert
Leadlikeness 1.0
Synthetic Accessibility 1.9

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