Molecule

ID:79660

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₃N₃O₆
Molecular Mass
379.32302
Exact Mass
379.08043515
Charge
0
InChI
InChI=1S/C19H13N3O6/c23-20(24)16-7-1-13(2-8-16)19(14-3-9-17(10-4-14)21(25)26)15-5-11-18(12-6-15)22(27)28/h1-12,19H
InChIKey
GFDFIMKBMBRKCK-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1)C(c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(cc1)C(c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-])[O-]
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
5.3058157
LogD (pH = 7.4)
5.3058157
Log P
5.3058157
Molar Refractivity
102.4129
Polarizability
36.919193
Polar Surface Area
137.46
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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