N-(2-Hydroxyphenyl)acetamide

Introduction

CAS No. :	614-80-2	MDL No. :	MFCD00002181
Formula :	C8H9NO2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	ADVGKWPZRIDURE-UHFFFAOYSA-N
M.W :	151.16	Pubchem ID :	11972
Synonyms :		Chemical Name :	N-(2-Hydroxyphenyl)acetamide

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.12
Num. rotatable bonds :	2
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	42.78
TPSA :	49.33 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.71 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.39
Log Po/w (XLOGP3) :	0.72
Log Po/w (WLOGP) :	1.16
Log Po/w (MLOGP) :	0.91
Log Po/w (SILICOS-IT) :	0.89
Consensus Log Po/w :	1.01

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.5
Solubility :	4.75 mg/ml ; 0.0314 mol/l
Class :	Very soluble
Log S (Ali) :	-1.33
Solubility :	7.0 mg/ml ; 0.0463 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.19
Solubility :	0.972 mg/ml ; 0.00643 mol/l
Class :	Soluble

Medicinal Chemistry

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

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313	UN#:	N/A
Hazard Statements:	H315-H319	Packing Group:	N/A
GHS Pictogram:

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