N-Hydroxypropionimidamide

Introduction

CAS No. :	29335-36-2	MDL No. :	MFCD03426272
Formula :	C3H8N2O	Boiling Point :	No data available
Linear Structure Formula :	C2H5C(NH2)NOH	InChI Key :	-
M.W :	88.11	Pubchem ID :	-
Synonyms :

Physicochemical Properties

Num. heavy atoms :	6
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.67
Num. rotatable bonds :	2
Num. H-bond acceptors :	2.0
Num. H-bond donors :	3.0
Molar Refractivity :	23.66
TPSA :	56.11 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) :	-7.11 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-2.29
Log Po/w (XLOGP3) :	-0.39
Log Po/w (WLOGP) :	0.35
Log Po/w (MLOGP) :	-0.04
Log Po/w (SILICOS-IT) :	-0.67
Consensus Log Po/w :	-0.61

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.01
Solubility :	86.4 mg/ml ; 0.98 mol/l
Class :	Very soluble
Log S (Ali) :	-0.32
Solubility :	41.7 mg/ml ; 0.473 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.14
Solubility :	63.8 mg/ml ; 0.724 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	3.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.88

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

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