Molecule
ID:76475
General Information
Molecular Formula
C₁₂H₇Cl
Molecular Mass
186.63698
Exact Mass
186.0236279
Charge
0
InChI
InChI=1S/C12H7Cl/c13-8-5-6-11-9-3-1-2-4-10(9)12(11)7-8/h1-7H
InChIKey
NCEVZHIJEFVYHB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c1c2cccc1
Isomeric Smiles
Clc1cc2c(cc1)c1ccccc21
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8984954
LogD (pH = 7.4)
3.8984954
Log P
3.8984954
Molar Refractivity
55.0772
Polarizability
23.944223
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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