Tin(II) oxalate

Introduction

CAS No. :	814-94-8	MDL No. :	MFCD00040678
Formula :	C2O4Sn	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	OQBLGYCUQGDOOR-UHFFFAOYSA-L
M.W :	206.73	Pubchem ID :	13149
Synonyms :

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	17.14
TPSA :	80.26 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) :	-7.74 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-0.25
Log Po/w (WLOGP) :	-3.89
Log Po/w (MLOGP) :	-1.51
Log Po/w (SILICOS-IT) :	-0.97
Consensus Log Po/w :	-1.33

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.9
Solubility :	26.1 mg/ml ; 0.126 mol/l
Class :	Very soluble
Log S (Ali) :	-0.98
Solubility :	21.8 mg/ml ; 0.105 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	1.47
Solubility :	6100.0 mg/ml ; 29.5 mol/l
Class :	Soluble

Medicinal Chemistry

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

Signal Word:	Danger	Class:	8
Precautionary Statements:	P260-P264-P270-P271-P272-P280-P284-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P333+P313-P342+P311-P362+P364-P405-P501	UN#:	1759
Hazard Statements:	H303-H314-H317-H332-H334-H372-H373	Packing Group:	Ⅲ
GHS Pictogram:

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