Molecule

ID:53728

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂
Molecular Mass
152.581
Exact Mass
152.01412585
Charge
0
InChI
InChI=1S/C7H5ClN2/c8-7-3-6-5(4-10-7)1-2-9-6/h1-4,9H
InChIKey
CBHXTZKXDLDMJZ-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc2c(c1)[nH]cc2
Isomeric Smiles
c1c2c(cnc1Cl)cc[nH]2
Calculated Properties
JChem
Acid pKa
14.35112
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6471472
LogD (pH = 7.4)
1.6781462
Log P
1.6785573
Molar Refractivity
40.8537
Polarizability
16.570347
Polar Surface Area
28.68
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
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Molecule Details
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References
Bioactivity
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