Molecule

ID:86906

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₂I
Molecular Mass
272.89849
Exact Mass
271.86565346
Charge
0
InChI
InChI=1S/C6H3Cl2I/c7-4-1-2-6(9)5(8)3-4/h1-3H
InChIKey
ZQKJCBDCOGLKCQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)I
Isomeric Smiles
Clc1c(ccc(c1)Cl)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.1102796
LogD (pH = 7.4)
4.1102796
Log P
4.1102796
Molar Refractivity
49.0301
Polarizability
19.44456
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation