Molecule

ID:91068

General Information
Structure
MolImage
Molecular Formula
C₉H₈ClNO₂
Molecular Mass
197.61832
Exact Mass
197.02435618
Charge
0
InChI
InChI=1S/C9H8ClNO2/c1-6-7(5-10)11-9(13-6)8-3-2-4-12-8/h2-4H,5H2,1H3
InChIKey
VAZMGBANZTXFDE-UHFFFAOYSA-N
Canonic Smiles
ClCc1nc(oc1C)c1ccco1
Isomeric Smiles
o1cccc1c1nc(c(o1)C)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8684291
LogD (pH = 7.4)
1.8684294
Log P
1.8684294
Molar Refractivity
58.7543
Polarizability
18.939007
Polar Surface Area
39.17
Rotatable Bonds
2
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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