Molecule

ID:89755

General Information
Structure
MolImage
Molecular Formula
C₇H₇Cl
Molecular Mass
126.58348
Exact Mass
126.0236279
Charge
0
InChI
InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChIKey
IBSQPLPBRSHTTG-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1Cl
Isomeric Smiles
Clc1c(cccc1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0907118
LogD (pH = 7.4)
3.0907118
Log P
3.0907118
Molar Refractivity
35.904
Polarizability
13.952233
Polar Surface Area
0.0
Rotatable Bonds
0
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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