Molecule
ID:73925
General Information
Molecular Formula
C₉H₈N₂O₂
Molecular Mass
176.17202
Exact Mass
176.05857751
Charge
0
InChI
InChI=1S/C9H8N2O2/c10-11-9(12)8-5-6-3-1-2-4-7(6)13-8/h1-5H,10H2,(H,11,12)
InChIKey
SYUDUCVHYKSSNV-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cc2c(o1)cccc2
Isomeric Smiles
o1c(cc2ccccc12)C(=O)NN
Calculated Properties
JChem
Acid pKa
12.534515
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.60606337
LogD (pH = 7.4)
0.6065262
Log P
0.60653496
Molar Refractivity
48.3391
Polarizability
18.969223
Polar Surface Area
68.26
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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