624-84-0|Formylhydrazine

Introduction

CAS No. :	624-84-0	MDL No. :	MFCD00007589
Formula :	CH4N2O	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	XZBIXDPGRMLSTC-UHFFFAOYSA-N
M.W :	60.06	Pubchem ID :	12229
Synonyms :

Physicochemical Properties

Num. heavy atoms :	4
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	13.02
TPSA :	55.12 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) :	-7.51 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.12
Log Po/w (XLOGP3) :	-1.19
Log Po/w (WLOGP) :	-1.39
Log Po/w (MLOGP) :	-1.2
Log Po/w (SILICOS-IT) :	-0.7
Consensus Log Po/w :	-0.87

Druglikeness

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

Water Solubility

Log S (ESOL) :	0.6
Solubility :	241.0 mg/ml ; 4.01 mol/l
Class :	Highly soluble
Log S (Ali) :	0.53
Solubility :	202.0 mg/ml ; 3.36 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.65
Solubility :	270.0 mg/ml ; 4.5 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	3.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.1

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

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