Molecule

ID:52693

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈N₂O₂
Molecular Mass
212.20412
Exact Mass
212.05857751
Charge
0
InChI
InChI=1S/C12H8N2O2/c15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14-12/h1-8H
InChIKey
UJCACAOPZBJKIW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccnc(c1)c1nccc(c1)C=O
Isomeric Smiles
c1cc(cc(n1)c1nccc(c1)C=O)C=O
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.3817984
LogD (pH = 7.4)
1.3818313
Log P
1.3818316
Molar Refractivity
59.3044
Polarizability
23.281403
Polar Surface Area
59.92
Rotatable Bonds
3
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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