Molecule

ID:73786

General Information
Structure
MolImage
Molecular Formula
C₉H₉Cl
Molecular Mass
152.62076
Exact Mass
152.03927797
Charge
0
InChI
InChI=1S/C9H9Cl/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7H,1,3H2
InChIKey
VGUNPRNQXXTCCL-UHFFFAOYSA-N
Canonic Smiles
C=CCc1ccc(cc1)Cl
Isomeric Smiles
Clc1ccc(cc1)CC=C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6758611
LogD (pH = 7.4)
3.6758611
Log P
3.6758611
Molar Refractivity
45.1501
Polarizability
17.480204
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
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References
Bioactivity
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