Molecule

ID:117665

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂O
Molecular Mass
194.61768
Exact Mass
194.02469053
Charge
0
InChI
InChI=1S/C9H7ClN2O/c1-6-2-3-12-8(4-6)11-7(10)5-9(12)13/h2-5H,1H3
InChIKey
YNCQZXXQUBDAPR-UHFFFAOYSA-N
Canonic Smiles
Cc1ccn2c(c1)nc(cc2=O)Cl
Isomeric Smiles
c12n(c(=O)cc(n1)Cl)ccc(c2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4507388
LogD (pH = 7.4)
1.4507388
Log P
1.4507388
Molar Refractivity
62.0613
Polarizability
18.93717
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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