Zinc(II) methacrylate

Introduction

CAS No. :	13189-00-9	MDL No. :	MFCD00045887
Formula :	C8H10O4Zn	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	PIMBTRGLTHJJRV-UHFFFAOYSA-L
M.W :	235.57	Pubchem ID :	10130896
Synonyms :

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.25
Num. rotatable bonds :	2
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	41.39
TPSA :	80.26 Ų

Pharmacokinetics

GI absorption :	High
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) :	-6.54 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-42.43
Log Po/w (XLOGP3) :	1.68
Log Po/w (WLOGP) :	-1.38
Log Po/w (MLOGP) :	0.75
Log Po/w (SILICOS-IT) :	-0.03
Consensus Log Po/w :	-8.28

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.23
Solubility :	1.4 mg/ml ; 0.00593 mol/l
Class :	Soluble
Log S (Ali) :	-2.98
Solubility :	0.247 mg/ml ; 0.00105 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	0.02
Solubility :	246.0 mg/ml ; 1.04 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.47

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P261-P264-P271-P280-P285-P302+P352-P304+P340-P305+P351+P338-P321-P332+P313-P337+P313-P342+P311-P362-P403+P233-P501	UN#:	2811
Hazard Statements:	H315-H319-H334-H335	Packing Group:	Ⅲ
GHS Pictogram:

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