Molecule

ID:78604

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈N₂O₃
Molecular Mass
216.19282
Exact Mass
216.05349213
Charge
0
InChI
InChI=1S/C11H8N2O3/c14-13(15)9-4-3-5-10(8-9)16-11-6-1-2-7-12-11/h1-8H
InChIKey
CYAZJQRAXUNGCO-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc(c1)Oc1ccccn1
Isomeric Smiles
n1c(cccc1)Oc1cccc(c1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7901857
LogD (pH = 7.4)
2.7903008
Log P
2.7903023
Molar Refractivity
57.7801
Polarizability
21.638372
Polar Surface Area
67.94
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
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References
Bioactivity
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