Molecule

ID:69184

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClN
Molecular Mass
163.60364
Exact Mass
163.01887688
Charge
0
InChI
InChI=1S/C9H6ClN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-6H
InChIKey
QNGUPQRODVPRDC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)nccc2
Isomeric Smiles
n1cccc2ccc(cc12)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7294753
LogD (pH = 7.4)
2.734876
Log P
2.734945
Molar Refractivity
44.7841
Polarizability
18.831047
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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