Molecule

ID:61743

General Information
Structure
MolImage
Molecular Formula
C₈H₅ClN₂
Molecular Mass
164.5917
Exact Mass
164.01412585
Charge
0
InChI
InChI=1S/C8H5ClN2/c9-7-1-4-11-8-2-3-10-5-6(7)8/h1-5H
InChIKey
GKEOOUFCVWEWHA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccnc2c1cncc2
Isomeric Smiles
c12c(ccnc1ccnc2)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5169847
LogD (pH = 7.4)
1.5172691
Log P
1.5172727
Molar Refractivity
42.6272
Polarizability
17.924494
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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