Molecule

ID:18192

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂O
Molecular Mass
194.61768
Exact Mass
194.02469053
Charge
0
InChI
InChI=1S/C9H7ClN2O/c1-6-8(5-13)12-4-7(10)2-3-9(12)11-6/h2-5H,1H3
InChIKey
MSIOZCNTINYVID-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)nc2n1cc(Cl)cc2
Isomeric Smiles
n12c(nc(c1C=O)C)ccc(c2)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0381228
LogD (pH = 7.4)
1.1262122
Log P
1.1274678
Molar Refractivity
51.7942
Polarizability
18.864151
Polar Surface Area
34.37
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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