Basic copper carbonate

Introduction

CAS No. :	12069-69-1	MDL No. :	MFCD00010976
Formula :	CH2Cu2O5	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	-
M.W :	221.12	Pubchem ID :	-
Synonyms :		Chemical Name :	Basic copper carbonate

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.0
Num. rotatable bonds :	4
Num. H-bond acceptors :	5.0
Num. H-bond donors :	2.0
Molar Refractivity :	11.44
TPSA :	75.99 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) :	-7.98 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-0.46
Log Po/w (WLOGP) :	-0.29
Log Po/w (MLOGP) :	-3.28
Log Po/w (SILICOS-IT) :	-1.31
Consensus Log Po/w :	-1.07

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.66
Solubility :	48.7 mg/ml ; 0.22 mol/l
Class :	Very soluble
Log S (Ali) :	-0.67
Solubility :	47.3 mg/ml ; 0.214 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	1.39
Solubility :	5470.0 mg/ml ; 24.7 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.89

Signal Word:	Danger	Class:	9
Precautionary Statements:	P273-P280-P301+P312+P330-P302+P352+P312-P305+P351+P338+P310	UN#:	3077
Hazard Statements:	H302+H312-H315-H318-H411	Packing Group:	Ⅲ
GHS Pictogram:

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