Molecule

ID:10114

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂O₂
Molecular Mass
150.13474
Exact Mass
150.04292744
Charge
0
InChI
InChI=1S/C7H6N2O2/c10-4-6(5-11)7-3-8-1-2-9-7/h1-6H
InChIKey
JMZSRARKHGBIFL-UHFFFAOYSA-N
Canonic Smiles
O=CC(c1nccnc1)C=O
Isomeric Smiles
c1cncc(n1)C(C=O)C=O
Calculated Properties
JChem
Acid pKa
-8.282404
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-1.6040055
LogD (pH = 7.4)
-3.3176208
Log P
-1.021054
Molar Refractivity
37.1207
Polarizability
14.256102
Polar Surface Area
59.92
Rotatable Bonds
3
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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