Molecule

ID:111998

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈Cl₂
Molecular Mass
247.11932
Exact Mass
246.00030562
Charge
0
InChI
InChI=1S/C14H8Cl2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
InChIKey
FKDIWXZNKAZCBY-UHFFFAOYSA-N
Canonic Smiles
Clc1c2ccccc2c(c2c1cccc2)Cl
Isomeric Smiles
Clc1c2ccccc2c(Cl)c2c1cccc2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.160289
LogD (pH = 7.4)
5.160289
Log P
5.160289
Molar Refractivity
68.568
Polarizability
29.181082
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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