Molecule

ID:28429

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClN
Molecular Mass
163.60364
Exact Mass
163.01887688
Charge
0
InChI
InChI=1S/C9H6ClN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
InChIKey
RUSMDMDNFUYZTM-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc2c1nccc2
Isomeric Smiles
c12ncccc2cccc1Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7337935
LogD (pH = 7.4)
2.7349305
Log P
2.734945
Molar Refractivity
44.7841
Polarizability
18.855556
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation