Lithiumacetate

Introduction

CAS No. :	546-89-4	MDL No. :	MFCD00013057
Formula :	C2H3LiO2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	XIXADJRWDQXREU-UHFFFAOYSA-M
M.W :	65.99	Pubchem ID :	3474584
Synonyms :

Physicochemical Properties

Num. heavy atoms :	5
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.5
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	11.56
TPSA :	40.13 Ų

Pharmacokinetics

GI absorption :	Low
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) :	-6.85 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-3.31
Log Po/w (XLOGP3) :	-0.21
Log Po/w (WLOGP) :	-1.24
Log Po/w (MLOGP) :	-0.49
Log Po/w (SILICOS-IT) :	-0.48
Consensus Log Po/w :	-1.15

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.12
Solubility :	50.4 mg/ml ; 0.764 mol/l
Class :	Very soluble
Log S (Ali) :	-0.18
Solubility :	44.0 mg/ml ; 0.667 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	0.53
Solubility :	226.0 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:
Precautionary Statements:	P264-P270-P301+P312+P330-P501	UN#:
Hazard Statements:	H302	Packing Group:
GHS Pictogram:

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