Molecule

ID:68155

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂
Molecular Mass
178.61828
Exact Mass
178.02977591
Charge
0
InChI
InChI=1S/C9H7ClN2/c1-6-11-8-5-3-2-4-7(8)9(10)12-6/h2-5H,1H3
InChIKey
HAAZMOAXEMIBAJ-UHFFFAOYSA-N
Canonic Smiles
Cc1nc2ccccc2c(n1)Cl
Isomeric Smiles
n1c(nc(c2ccccc12)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8001761
LogD (pH = 7.4)
2.8002923
Log P
2.8002937
Molar Refractivity
49.291
Polarizability
19.75652
Polar Surface Area
25.78
Rotatable Bonds
0
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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