Molecule

ID:67876

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClN
Molecular Mass
163.60364
Exact Mass
163.01887688
Charge
0
InChI
InChI=1S/C9H6ClN/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
InChIKey
KNDOFJFSHZCKGT-UHFFFAOYSA-N
Canonic Smiles
Clc1ccnc2c1cccc2
Isomeric Smiles
n1ccc(c2ccccc12)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7314618
LogD (pH = 7.4)
2.7349012
Log P
2.734945
Molar Refractivity
44.7841
Polarizability
18.842148
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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