Molecule

ID:87744

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁NO₄
Molecular Mass
257.24144
Exact Mass
257.06880784
Charge
0
InChI
InChI=1S/C14H11NO4/c16-9-11-3-7-14(8-4-11)19-10-12-1-5-13(6-2-12)15(17)18/h1-9H,10H2
InChIKey
RIYUFYPNHRLRON-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
O=Cc1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.1925342
LogD (pH = 7.4)
3.1925342
Log P
3.1925342
Molar Refractivity
70.0383
Polarizability
26.201393
Polar Surface Area
69.44
Rotatable Bonds
5
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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