Molecule

ID:10110

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂O₂
Molecular Mass
150.13474
Exact Mass
150.04292744
Charge
0
InChI
InChI=1S/C7H6N2O2/c10-3-6(4-11)7-1-2-8-5-9-7/h1-6H
InChIKey
BQJUGEYYDDLNKB-UHFFFAOYSA-N
Canonic Smiles
O=CC(c1ccncn1)C=O
Isomeric Smiles
c1cncnc1C(C=O)C=O
Calculated Properties
JChem
Acid pKa
-0.3410643
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.94570583
LogD (pH = 7.4)
-2.6153178
Log P
-0.5092195
Molar Refractivity
38.0988
Polarizability
14.259412
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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