Molecule

ID:80296

General Information
Structure
Molecular Formula
C₁₀H₈N₂O₂
Molecular Mass
188.18272
Exact Mass
188.05857751
Charge
0
InChI
InChI=1S/C10H8N2O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
InChIKey
CEJJXIXKGPQQNG-UHFFFAOYSA-N
Canonic Smiles
[O-][n+]1ccc(cc1)c1cc[n+](cc1)[O-]
Isomeric Smiles
[n+]1(ccc(cc1)c1cc[n+](cc1)[O-])[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.3352066
LogD (pH = 7.4)
-1.3351878
Log P
-1.3351876
Molar Refractivity
54.2594
Polarizability
20.397127
Polar Surface Area
50.92
Rotatable Bonds
1
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
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References
Bioactivity
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