Molecule

ID:37005

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO₅
Molecular Mass
287.26742
Exact Mass
287.07937252
Charge
0
InChI
InChI=1S/C15H13NO5/c1-20-15(17)12-4-8-14(9-5-12)21-10-11-2-6-13(7-3-11)16(18)19/h2-9H,10H2,1H3
InChIKey
NNPCMDAFOROLEB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
c1c(ccc(c1)COc1ccc(cc1)C(=O)OC)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.4835088
LogD (pH = 7.4)
3.4835088
Log P
3.4835088
Molar Refractivity
76.4838
Polarizability
28.748459
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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