Molecule

ID:25837

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO₅
Molecular Mass
287.26742
Exact Mass
287.07937252
Charge
0
InChI
InChI=1S/C15H13NO5/c1-20-14-7-6-11(9-17)8-12(14)10-21-15-5-3-2-4-13(15)16(18)19/h2-9H,10H2,1H3
InChIKey
OJLZETGPULWKBY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)COc1ccccc1[N+](=O)[O-])OC
Isomeric Smiles
[N+](=O)(c1c(OCc2c(ccc(c2)C=O)OC)cccc1)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.034863
LogD (pH = 7.4)
3.034863
Log P
3.034863
Molar Refractivity
77.5057
Polarizability
28.74431
Polar Surface Area
81.35
Rotatable Bonds
6
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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