1,2-Diiodoethane

Introduction

CAS No. :	624-73-7	MDL No. :	MFCD00001093
Formula :	C2H4I2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	GBBZLMLLFVFKJM-UHFFFAOYSA-N
M.W :	281.86	Pubchem ID :	12224
Synonyms :

Physicochemical Properties

Num. heavy atoms :	4
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	37.65
TPSA :	0.0 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) :	-6.1 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.8
Log Po/w (XLOGP3) :	2.71
Log Po/w (WLOGP) :	1.86
Log Po/w (MLOGP) :	2.6
Log Po/w (SILICOS-IT) :	2.25
Consensus Log Po/w :	2.24

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.23
Solubility :	0.166 mg/ml ; 0.00059 mol/l
Class :	Soluble
Log S (Ali) :	-2.36
Solubility :	1.22 mg/ml ; 0.00433 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.59
Solubility :	0.731 mg/ml ; 0.00259 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	3.59

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H315-H319-H335	Packing Group:
GHS Pictogram:

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