Molecule

ID:79203

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂O
Molecular Mass
194.61768
Exact Mass
194.02469053
Charge
0
InChI
InChI=1S/C9H7ClN2O/c1-6-8(10)9(13)12-5-3-2-4-7(12)11-6/h2-5H,1H3
InChIKey
RFTUUEWMJJYMNE-UHFFFAOYSA-N
Canonic Smiles
Cc1nc2ccccn2c(=O)c1Cl
Isomeric Smiles
n12c(=O)c(c(nc1cccc2)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4009246
LogD (pH = 7.4)
1.4009247
Log P
1.4009247
Molar Refractivity
53.5395
Polarizability
18.936264
Polar Surface Area
32.67
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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