Molecule

ID:78922

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O₆
Molecular Mass
302.239
Exact Mass
302.05388605
Charge
0
InChI
InChI=1S/C14H10N2O6/c17-8-11-7-13(16(20)21)5-6-14(11)22-9-10-1-3-12(4-2-10)15(18)19/h1-8H,9H2
InChIKey
XSINFCLTANMRDY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(c(c1)C=O)OCc1ccc(cc1)[N+](=O)[O-])[O-]
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
3.1325183
LogD (pH = 7.4)
3.1325183
Log P
3.1325183
Molar Refractivity
78.3672
Polarizability
28.175325
Polar Surface Area
117.94
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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