Molecule

ID:54328

General Information
Structure
MolImage
Molecular Formula
C₉H₅ClN₂O
Molecular Mass
192.6018
Exact Mass
192.00904047
Charge
0
InChI
InChI=1S/C9H5ClN2O/c10-9(13)8-5-11-6-3-1-2-4-7(6)12-8/h1-5H
InChIKey
SOPDQKNXOCUBSR-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cnc2c(n1)cccc2
Isomeric Smiles
c1(cnc2c(n1)cccc2)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8758395
LogD (pH = 7.4)
1.8758413
Log P
1.8758413
Molar Refractivity
48.1931
Polarizability
19.811499
Polar Surface Area
42.85
Rotatable Bonds
1
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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