Molecule

ID:61489

General Information
Structure
MolImage
Molecular Formula
C₈H₅ClN₂
Molecular Mass
164.5917
Exact Mass
164.01412585
Charge
0
InChI
InChI=1S/C8H5ClN2/c9-8-6-2-1-4-10-7(6)3-5-11-8/h1-5H
InChIKey
WXAOVVFKLPOPAM-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc2c1cccn2
Isomeric Smiles
c1ccc2c(n1)ccnc2Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7373801
LogD (pH = 7.4)
1.737449
Log P
1.7374499
Molar Refractivity
43.6885
Polarizability
17.985085
Polar Surface Area
25.78
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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