Molecule

ID:35150

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂O
Molecular Mass
194.61768
Exact Mass
194.02469053
Charge
0
InChI
InChI=1S/C9H7ClN2O/c10-6-7-5-9(13)12-4-2-1-3-8(12)11-7/h1-5H,6H2
InChIKey
QANDFEYEAYUSKD-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(=O)n2c(n1)cccc2
Isomeric Smiles
n12c(nc(cc1=O)CCl)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0478203
LogD (pH = 7.4)
1.0478209
Log P
1.0478209
Molar Refractivity
53.3429
Polarizability
18.914944
Polar Surface Area
32.67
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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