Molecule

ID:9681

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂
Molecular Mass
178.61828
Exact Mass
178.02977591
Charge
0
InChI
InChI=1S/C9H7ClN2/c10-8-3-1-2-4-9(8)12-6-5-11-7-12/h1-7H
InChIKey
ZGGZGKAVJNFVHE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1n1cncc1
Isomeric Smiles
n1cn(c2c(Cl)cccc2)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8675469
LogD (pH = 7.4)
2.3087106
Log P
2.340455
Molar Refractivity
58.8112
Polarizability
19.285093
Polar Surface Area
17.82
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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