Molecule

ID:62542

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₂O
Molecular Mass
160.17262
Exact Mass
160.06366289
Charge
0
InChI
InChI=1S/C9H8N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H,1H3,(H,10,11,12)
InChIKey
FIEYHAAMDAPVCH-UHFFFAOYSA-N
Canonic Smiles
Cc1nc2ccccc2c(=O)[nH]1
Isomeric Smiles
c1(=O)[nH]c(nc2c1cccc2)C
Calculated Properties
JChem
Acid pKa
9.975684
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7647784
LogD (pH = 7.4)
0.7727963
Log P
0.7734405
Molar Refractivity
47.3899
Polarizability
16.822115
Polar Surface Area
41.46
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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