Molecule

ID:89379

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈N₂O₅
Molecular Mass
260.20232
Exact Mass
260.04332137
Charge
0
InChI
InChI=1S/C12H8N2O5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H
InChIKey
MWAGUKZCDDRDCS-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
O(c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.3535013
LogD (pH = 7.4)
3.3535013
Log P
3.3535013
Molar Refractivity
66.9482
Polarizability
24.462145
Polar Surface Area
100.87
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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