Molecule

ID:40395

General Information
Structure
MolImage
Molecular Formula
C₈H₅ClN₂
Molecular Mass
164.5917
Exact Mass
164.01412585
Charge
0
InChI
InChI=1S/C8H5ClN2/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H
InChIKey
BYHVGQHIAFURIL-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc2c(n1)cccc2
Isomeric Smiles
n1c(cnc2c1cccc2)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1232948
LogD (pH = 7.4)
2.1233
Log P
2.1233003
Molar Refractivity
43.3165
Polarizability
17.9982
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
References
Bioactivity
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