Molecule

ID:8022

General Information
Structure
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Molecular Formula
C₈H₉Cl
Molecular Mass
140.61006
Exact Mass
140.03927797
Charge
0
InChI
InChI=1S/C8H9Cl/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3
InChIKey
GPOFSFLJOIAMSA-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)Cl
Isomeric Smiles
c1c(ccc(c1)CC)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5352805
LogD (pH = 7.4)
3.5352805
Log P
3.5352805
Molar Refractivity
40.505
Polarizability
15.792781
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
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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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