Ethylene carbonate

Introduction

CAS No. :	96-49-1	MDL No. :	MFCD00005382
Formula :	C3H4O3	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	KMTRUDSVKNLOMY-UHFFFAOYSA-N
M.W :	88.06	Pubchem ID :	7303
Synonyms :

Physicochemical Properties

Num. heavy atoms :	6
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.67
Num. rotatable bonds :	0
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	17.18
TPSA :	35.53 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) :	-6.63 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.02
Log Po/w (XLOGP3) :	0.29
Log Po/w (WLOGP) :	0.15
Log Po/w (MLOGP) :	-0.83
Log Po/w (SILICOS-IT) :	1.02
Consensus Log Po/w :	0.33

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.57
Solubility :	23.8 mg/ml ; 0.27 mol/l
Class :	Very soluble
Log S (Ali) :	-0.6
Solubility :	22.2 mg/ml ; 0.252 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	0.02
Solubility :	92.6 mg/ml ; 1.05 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.69

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P260-P264-P270-P280-P301+P312+P330-P305+P351+P338-P314-P337+P313-P501	UN#:	N/A
Hazard Statements:	H302-H319-H373	Packing Group:	N/A
GHS Pictogram:

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