Molecule
ID:112450
General Information
Molecular Formula
C₈H₇Cl
Molecular Mass
138.59418
Exact Mass
138.0236279
Charge
0
InChI
InChI=1S/C8H7Cl/c9-7-6-8-4-2-1-3-5-8/h1-7H
InChIKey
SBYMUDUGTIKLCR-UHFFFAOYSA-N
Canonic Smiles
Cl/C=C/c1ccccc1
Isomeric Smiles
Cl/C=C/c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0271454
LogD (pH = 7.4)
3.0271454
Log P
3.0271454
Molar Refractivity
40.5459
Polarizability
15.671852
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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