Molecule

ID:43904

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₄
Molecular Mass
246.2188
Exact Mass
246.06405681
Charge
0
InChI
InChI=1S/C12H10N2O4/c1-18-12(15)9-4-5-10(11(8-9)14(16)17)13-6-2-3-7-13/h2-8H,1H3
InChIKey
ZNWOHFKNSLRESW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)[N+](=O)[O-])n1cccc1
Isomeric Smiles
c1c(c(ccc1C(=O)OC)n1cccc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.663
LogD (pH = 7.4)
2.663
Log P
2.663
Molar Refractivity
75.1604
Polarizability
24.62739
Polar Surface Area
77.05
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
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References
Bioactivity
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