Molecule

ID:43678

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO₅
Molecular Mass
287.26742
Exact Mass
287.07937252
Charge
0
InChI
InChI=1S/C15H13NO5/c1-20-12-6-3-10(4-7-12)13-8-5-11(16(18)19)9-14(13)15(17)21-2/h3-9H,1-2H3
InChIKey
QZCVARJOWOPXOO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ccc(cc1C(=O)OC)[N+](=O)[O-]
Isomeric Smiles
c1(ccc(cc1)OC)c1c(cc(cc1)[N+](=O)[O-])C(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.406261
LogD (pH = 7.4)
3.406261
Log P
3.406261
Molar Refractivity
77.0074
Polarizability
30.073902
Polar Surface Area
81.35
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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