Benzofuran-6-ol

Cat. No.: PI13196117

Product Details Other Identifiers Computed Properties

CAS	13196-11-7
Purity	95%
Molecular Formula	C8H6O2
Molecular Weight	134.13
Molar Refractivity	38.24

Pubchem ID	128844
InChI Key	UVJMVWURCUYFFK-UHFFFAOYSA-N
MDL Number	MFCD08669481

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	0
Topological Polar Surface Area	33.37 Å²
Heavy Atom Count	10
Aromatic Heavy Atoms Number	9
Fraction Csp3	0.0
Log Po/w (iLOGP)	1.55
Log Po/w (XLOGP3)	1.97
Log Po/w (WLOGP)	2.14
Log Po/w (MLOGP)	0.91
Log Po/w (SILICOS-IT)	1.97
Consensus Log Po/w	1.71
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.72 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.2

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