Molecule

ID:83563

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₉NO₅
Molecular Mass
389.40066
Exact Mass
389.12632271
Charge
0
InChI
InChI=1S/C23H19NO5/c1-28-20-13-8-17(9-14-20)10-15-22(25)21-4-2-3-5-23(21)29-16-18-6-11-19(12-7-18)24(26)27/h2-15H,16H2,1H3
InChIKey
FJPBIFLQMLXVKN-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)/C=C/C(=O)c1ccccc1OCc1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(cc1)COc1ccccc1C(=O)/C=C/c1ccc(cc1)OC)[O-]
Calculated Properties
JChem
Acid pKa
16.592415
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
5.23944
LogD (pH = 7.4)
5.23944
Log P
5.23944
Molar Refractivity
111.7407
Polarizability
41.809322
Polar Surface Area
81.35
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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