Molecule

ID:79849

General Information
Structure
MolImage
Molecular Formula
C₂₀H₉N₅O₁₀
Molecular Mass
479.31296
Exact Mass
479.03494151
Charge
0
InChI
InChI=1S/C20H9N5O10/c26-21(27)11-3-1-2-10(4-11)5-14-15-6-12(22(28)29)8-17(24(32)33)19(15)20-16(14)7-13(23(30)31)9-18(20)25(34)35/h1-9H
InChIKey
DFURIDKCYSIFKR-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc(c1)/C=C/1\c2cc(cc(c2c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1c2c(cc(c1)[N+](=O)[O-])/C(=C\c1cccc(c1)[N+](=O)[O-])/c1c2c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])[O-]
Calculated Properties
JChem
H Acceptors
10
H Donor
0
LogD (pH = 5.5)
5.120186
LogD (pH = 7.4)
5.120186
Log P
5.120186
Molar Refractivity
130.7672
Polarizability
43.291023
Polar Surface Area
229.1
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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