Molecule

ID:67782

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClN
Molecular Mass
163.60364
Exact Mass
163.01887688
Charge
0
InChI
InChI=1S/C9H6ClN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
InChIKey
OFUFXTHGZWIDDB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(n1)cccc2
Isomeric Smiles
n1c(ccc2ccccc12)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9551177
LogD (pH = 7.4)
2.9551222
Log P
2.9551222
Molar Refractivity
45.8454
Polarizability
18.895536
Polar Surface Area
12.89
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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