Molecule

ID:75460

General Information
Structure
MolImage
Molecular Formula
C₉H₈ClN
Molecular Mass
165.61952
Exact Mass
165.03452694
Charge
0
InChI
InChI=1S/C9H8ClN/c1-6-2-3-8(10)9-7(6)4-5-11-9/h2-5,11H,1H3
InChIKey
VROAZBUBLKHGDJ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c2c1cc[nH]2)Cl
Isomeric Smiles
[nH]1c2c(c(ccc2Cl)C)cc1
Calculated Properties
JChem
Acid pKa
15.728305
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
3.1894739
LogD (pH = 7.4)
3.1894739
Log P
3.1894739
Molar Refractivity
46.9905
Polarizability
19.196653
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
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References
Bioactivity
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