Manganese acetate tetrahydrate

Introduction

CAS No. :	6156-78-1	MDL No. :	MFCD00062552
Formula :	C4H14MnO8	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	CESXSDZNZGSWSP-UHFFFAOYSA-L
M.W :	245.09	Pubchem ID :	93021
Synonyms :

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.5
Num. rotatable bonds :	0
Num. H-bond acceptors :	8.0
Num. H-bond donors :	4.0
Molar Refractivity :	35.31
TPSA :	117.18 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) :	-9.44 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-2.32
Log Po/w (WLOGP) :	-2.74
Log Po/w (MLOGP) :	-3.77
Log Po/w (SILICOS-IT) :	-0.48
Consensus Log Po/w :	-1.86

Druglikeness

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

Water Solubility

Log S (ESOL) :	0.1
Solubility :	310.0 mg/ml ; 1.26 mol/l
Class :	Highly soluble
Log S (Ali) :	0.4
Solubility :	609.0 mg/ml ; 2.49 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.53
Solubility :	838.0 mg/ml ; 3.42 mol/l
Class :	Soluble

Medicinal Chemistry

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

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338-P310	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

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