Molecule

ID:76804

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈N₂O₅
Molecular Mass
284.22372
Exact Mass
284.04332137
Charge
0
InChI
InChI=1S/C14H8N2O5/c17-15(18)10-7-12(16(19)20)11-6-5-9-3-1-2-4-13(9)21-14(11)8-10/h1-8H
InChIKey
NOHKLRGEWUCJIL-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(cc2c1C=Cc1c(O2)cccc1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(cc2c1C=Cc1c(cccc1)O2)[N+](=O)[O-])[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.7200966
LogD (pH = 7.4)
3.7200966
Log P
3.7200966
Molar Refractivity
76.345
Polarizability
27.298792
Polar Surface Area
100.87
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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