Molecule

ID:65902

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₃
Molecular Mass
204.18212
Exact Mass
204.05349213
Charge
0
InChI
InChI=1S/C10H8N2O3/c1-11-6-9(12(14)15)7-4-2-3-5-8(7)10(11)13/h2-6H,1H3
InChIKey
RYXPUBRGQYMEJB-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cn(C)c(=O)c2c1cccc2
Isomeric Smiles
c1ccc2c(c1)c(=O)n(cc2[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.80217147
LogD (pH = 7.4)
0.80217147
Log P
0.80217147
Molar Refractivity
54.5511
Polarizability
19.727533
Polar Surface Area
66.13
Rotatable Bonds
1
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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