Molecule

ID:59345

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁NO₄
Molecular Mass
257.24144
Exact Mass
257.06880784
Charge
0
InChI
InChI=1S/C14H11NO4/c1-19-13-8-4-11(5-9-13)14(16)10-2-6-12(7-3-10)15(17)18/h2-9H,1H3
InChIKey
DXVSAELNVPXMSQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
c1c(ccc(c1)C(=O)c1ccc(cc1)[N+](=O)[O-])OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.2149117
LogD (pH = 7.4)
3.2149117
Log P
3.2149117
Molar Refractivity
69.4172
Polarizability
26.36237
Polar Surface Area
69.44
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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