Molecule

ID:75715

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉N₃O₄
Molecular Mass
283.23896
Exact Mass
283.05930578
Charge
0
InChI
InChI=1S/C14H9N3O4/c18-17(19)10-2-4-14-15-11(7-16(14)6-10)9-1-3-12-13(5-9)21-8-20-12/h1-7H,8H2
InChIKey
FWRRIXYWKKPLSX-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc2n(c1)cc(n2)c1ccc2c(c1)OCO2
Isomeric Smiles
n12c(nc(c1)c1ccc3c(c1)OCO3)ccc(c2)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.258874
LogD (pH = 7.4)
2.3544672
Log P
2.3558428
Molar Refractivity
73.7922
Polarizability
28.57786
Polar Surface Area
81.58
Rotatable Bonds
2
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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