Copper(II) acetate hydrate

Introduction

CAS No. :	6046-93-1	MDL No. :	MFCD00149570
Formula :	C4H8CuO5	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	NWFNSTOSIVLCJA-UHFFFAOYSA-L
M.W :	199.65	Pubchem ID :	165397
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.5
Num. rotatable bonds :	0
Num. H-bond acceptors :	5.0
Num. H-bond donors :	1.0
Molar Refractivity :	26.16
TPSA :	89.49 Ų

Pharmacokinetics

GI absorption :	Low
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) :	-8.15 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-29.13
Log Po/w (XLOGP3) :	-0.89
Log Po/w (WLOGP) :	-2.55
Log Po/w (MLOGP) :	-1.37
Log Po/w (SILICOS-IT) :	-0.48
Consensus Log Po/w :	-6.89

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.52
Solubility :	60.7 mg/ml ; 0.304 mol/l
Class :	Very soluble
Log S (Ali) :	-0.51
Solubility :	62.1 mg/ml ; 0.311 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	0.53
Solubility :	683.0 mg/ml ; 3.42 mol/l
Class :	Soluble

Medicinal Chemistry

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

Signal Word:	Danger	Class:	9
Precautionary Statements:	P273-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310	UN#:	3077
Hazard Statements:	H302-H315-H317-H318-H335-H410	Packing Group:	Ⅲ
GHS Pictogram:

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