4-Aminobenzoic acid potassium salt

Introduction

CAS No. :	138-84-1	MDL No. :	MFCD00064911
Formula :	C7H6KNO2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	MZKKJVZIFIQOPP-UHFFFAOYSA-M
M.W :	175.23	Pubchem ID :	23663628
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	35.86
TPSA :	66.15 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.78 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-7.88
Log Po/w (XLOGP3) :	0.83
Log Po/w (WLOGP) :	-0.36
Log Po/w (MLOGP) :	-0.12
Log Po/w (SILICOS-IT) :	0.5
Consensus Log Po/w :	-1.41

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.79
Solubility :	2.86 mg/ml ; 0.0163 mol/l
Class :	Very soluble
Log S (Ali) :	-1.8
Solubility :	2.77 mg/ml ; 0.0158 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.38
Solubility :	7.27 mg/ml ; 0.0415 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:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H315-H319-H335	Packing Group:
GHS Pictogram:

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