2-Hydroxybenzamide

Introduction

CAS No. :	65-45-2	MDL No. :	MFCD00007978
Formula :	C7H7NO2	Boiling Point :	-
Linear Structure Formula :	C6H4(OH)C(O)NH2	InChI Key :	SKZKKFZAGNVIMN-UHFFFAOYSA-N
M.W :	137.14	Pubchem ID :	5147
Synonyms :	2-Hydroxybenzamide;o-hydroxybenzamide;Urtosal;Salizell;Panithal;Eggosalil;Dropsprin;Cymidon;Benesal;Allevin;Acket	Chemical Name :	2-Hydroxybenzamide

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	36.56
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) :	-6.23 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.17
Log Po/w (XLOGP3) :	1.28
Log Po/w (WLOGP) :	0.49
Log Po/w (MLOGP) :	0.58
Log Po/w (SILICOS-IT) :	0.5
Consensus Log Po/w :	0.8

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.87
Solubility :	1.83 mg/ml ; 0.0133 mol/l
Class :	Very soluble
Log S (Ali) :	-2.21
Solubility :	0.847 mg/ml ; 0.00618 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.38
Solubility :	5.69 mg/ml ; 0.0415 mol/l
Class :	Soluble

Medicinal Chemistry

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

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P403+P233-P405-P501	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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