Molecule

ID:122522

General Information
Structure
MolImage
Molecular Formula
C₈H₉Cl
Molecular Mass
140.61006
Exact Mass
140.03927797
Charge
0
InChI
InChI=1S/C8H9Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
MNNZINNZIQVULG-UHFFFAOYSA-N
Canonic Smiles
ClCCc1ccccc1
Isomeric Smiles
ClCCc1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.8491492
LogD (pH = 7.4)
2.8491492
Log P
2.8491492
Molar Refractivity
40.6799
Polarizability
15.748726
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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