Molecule

ID:22232

General Information
Structure
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Molecular Formula
C₁₂H₉Cl
Molecular Mass
188.65286
Exact Mass
188.03927797
Charge
0
InChI
InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey
FPWNLURCHDRMHC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1ccccc1
Isomeric Smiles
Clc1ccc(cc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.224516
LogD (pH = 7.4)
4.224516
Log P
4.224516
Molar Refractivity
55.999
Polarizability
23.229431
Polar Surface Area
0.0
Rotatable Bonds
1
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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