Cobalt(II) oxalate dihydrate

Introduction

CAS No. :	5965-38-8	MDL No. :	MFCD03414148
Formula :	C2H4CoO6	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	MWHSMSAKVHVSAS-UHFFFAOYSA-L
M.W :	182.98	Pubchem ID :	12096404
Synonyms :

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	6.0
Num. H-bond donors :	2.0
Molar Refractivity :	17.48
TPSA :	86.74 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) :	-7.83 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-0.58
Log Po/w (WLOGP) :	-1.13
Log Po/w (MLOGP) :	-3.55
Log Po/w (SILICOS-IT) :	0.01
Consensus Log Po/w :	-1.05

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.61
Solubility :	45.0 mg/ml ; 0.246 mol/l
Class :	Very soluble
Log S (Ali) :	-0.77
Solubility :	31.0 mg/ml ; 0.169 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	0.13
Solubility :	246.0 mg/ml ; 1.34 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.2

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P264-P270-P280-P301+P312+P330-P302+P352+P312-P362+P364-P501	UN#:	N/A
Hazard Statements:	H302-H312	Packing Group:	N/A
GHS Pictogram:

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