Molecule

ID:35332

General Information
Structure
MolImage
Molecular Formula
C₉H₈ClN
Molecular Mass
165.61952
Exact Mass
165.03452694
Charge
0
InChI
InChI=1S/C9H8ClN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5,11H,1H3
InChIKey
WUVWAXJXPRYUME-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)cc([nH]2)C
Isomeric Smiles
[nH]1c(cc2c1ccc(c2)Cl)C
Calculated Properties
JChem
Acid pKa
16.50078
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.8756137
LogD (pH = 7.4)
2.8756137
Log P
2.8756137
Molar Refractivity
47.099
Polarizability
19.17746
Polar Surface Area
15.79
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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