2-Hydroxy-N-(4-hydroxyphenyl)-benzamide

Name: 2-Hydroxy-N-(4-hydroxyphenyl)-benzamide
SKU: PI526181
Rating: 5 (1 reviews)

Cat. No.: PI526181

Product Details Other Identifiers Computed Properties

CAS	526-18-1
Purity	98%
Molecular Formula	C13H11NO3
Linear Formula	HOC6H4NHCOC6H4OH
Molecular Weight	229.23
Molar Refractivity	64.7

Pubchem ID	4602
InChI Key	LGCMKPRGGJRYGM-UHFFFAOYSA-N
MDL Number	MFCD00020026

Hydrogen Bond Donor Count	3.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	3
Topological Polar Surface Area	69.56 Å²
Heavy Atom Count	17
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.0
Log Po/w (iLOGP)	1.53
Log Po/w (XLOGP3)	3.46
Log Po/w (WLOGP)	2.16
Log Po/w (MLOGP)	1.82
Log Po/w (SILICOS-IT)	1.62
Consensus Log Po/w	2.12
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.24 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	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.28

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