Cupric carbonate

Introduction

CAS No. :	1184-64-1	MDL No. :	MFCD00051038
Formula :	CCuO3	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	GEZOTWYUIKXWOA-UHFFFAOYSA-L
M.W :	123.55	Pubchem ID :	14452
Synonyms :

Physicochemical Properties

Num. heavy atoms :	5
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	6.77
TPSA :	63.19 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) :	-7.15 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-0.13
Log Po/w (WLOGP) :	-2.45
Log Po/w (MLOGP) :	-1.6
Log Po/w (SILICOS-IT) :	-0.44
Consensus Log Po/w :	-0.92

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 :	37.0 mg/ml ; 0.299 mol/l
Class :	Very soluble
Log S (Ali) :	-0.74
Solubility :	22.3 mg/ml ; 0.181 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	1.49
Solubility :	3810.0 mg/ml ; 30.8 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.52

Signal Word:	Danger	Class:	9
Precautionary Statements:	P501-P273-P260-P270-P264-P280-P391-P314-P337+P313-P305+P351+P338-P301+P312+P330	UN#:	3077
Hazard Statements:	H302-H319-H372-H410	Packing Group:	Ⅲ
GHS Pictogram:

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