N-Hydroxy-5-methoxypicolinimidamide

Introduction

CAS No. :	327056-65-5	MDL No. :	MFCD09910311
Formula :	C7H9N3O2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	-
M.W :	167.17	Pubchem ID :	-
Synonyms :

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.14
Num. rotatable bonds :	3
Num. H-bond acceptors :	4.0
Num. H-bond donors :	3.0
Molar Refractivity :	42.82
TPSA :	78.23 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) :	-7.3 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.0
Log Po/w (XLOGP3) :	0.03
Log Po/w (WLOGP) :	0.39
Log Po/w (MLOGP) :	-0.27
Log Po/w (SILICOS-IT) :	0.08
Consensus Log Po/w :	0.25

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.07
Solubility :	14.3 mg/ml ; 0.0856 mol/l
Class :	Very soluble
Log S (Ali) :	-1.23
Solubility :	9.95 mg/ml ; 0.0595 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.72
Solubility :	3.22 mg/ml ; 0.0193 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	3.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.01

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

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