2-Hydroxy-2-phenylacetamide

Introduction

CAS No. :	4410-31-5	MDL No. :	MFCD00025495
Formula :	C8H9NO2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	MAGPZHKLEZXLNU-UHFFFAOYSA-N
M.W :	151.16	Pubchem ID :	73558
Synonyms :

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 :	40.28
TPSA :	63.32 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.24 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.69
Log Po/w (XLOGP3) :	-0.03
Log Po/w (WLOGP) :	-0.12
Log Po/w (MLOGP) :	0.38
Log Po/w (SILICOS-IT) :	0.52
Consensus Log Po/w :	0.29

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.03
Solubility :	14.1 mg/ml ; 0.0933 mol/l
Class :	Very soluble
Log S (Ali) :	-0.85
Solubility :	21.4 mg/ml ; 0.141 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.44
Solubility :	5.46 mg/ml ; 0.0361 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.38

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319	Packing Group:
GHS Pictogram:

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