Ammonium formate

Introduction

CAS No. :	540-69-2	MDL No. :	MFCD00013103
Formula :	CH5NO2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	VZTDIZULWFCMLS-UHFFFAOYSA-N
M.W :	63.06	Pubchem ID :	2723923
Synonyms :	Ammonium formate	Chemical Name :	Ammonium formate

Physicochemical Properties

Num. heavy atoms :	4
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	13.12
TPSA :	40.13 Ų

Pharmacokinetics

GI absorption :	Low
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) :	-8.96 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-3.21
Log Po/w (WLOGP) :	-1.26
Log Po/w (MLOGP) :	-5.69
Log Po/w (SILICOS-IT) :	-0.23
Consensus Log Po/w :	-2.08

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	3.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	1.79
Solubility :	3900.0 mg/ml ; 61.9 mol/l
Class :	Highly soluble
Log S (Ali) :	2.94
Solubility :	54600.0 mg/ml ; 865.0 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.97
Solubility :	593.0 mg/ml ; 9.4 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:	N/A
Precautionary Statements:	P264-P270-P301+P312-P330-P501	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

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