Molecule

ID:92058

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₂O₄
Molecular Mass
208.17082
Exact Mass
208.04840675
Charge
0
InChI
InChI=1S/C9H8N2O4/c1-2-14-9(12)6-3-4-8-7(5-6)10-15-11(8)13/h3-5H,2H2,1H3
InChIKey
PNSWPHLJTBSRJR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc2c(c1)no[n+]2[O-]
Isomeric Smiles
o1nc2c([n+]1[O-])ccc(c2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.5715
LogD (pH = 7.4)
1.5715
Log P
1.5715
Molar Refractivity
72.2091
Polarizability
19.791592
Polar Surface Area
77.79
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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