2-Amino-5-methoxybenzamide

Introduction

CAS No. :	1882-71-9	MDL No. :	MFCD12674808
Formula :	C8H10N2O2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	NWZIAOBMRQYTTD-UHFFFAOYSA-N
M.W :	166.18	Pubchem ID :	20338217
Synonyms :

Physicochemical Properties

Num. heavy atoms :	12
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 :	45.43
TPSA :	78.34 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) :	-7.13 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.2
Log Po/w (XLOGP3) :	0.26
Log Po/w (WLOGP) :	0.38
Log Po/w (MLOGP) :	0.33
Log Po/w (SILICOS-IT) :	0.26
Consensus Log Po/w :	0.49

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.27
Solubility :	8.88 mg/ml ; 0.0534 mol/l
Class :	Very soluble
Log S (Ali) :	-1.47
Solubility :	5.68 mg/ml ; 0.0342 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.75
Solubility :	2.97 mg/ml ; 0.0179 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.18

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:
GHS Pictogram:

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