Molecule

ID:43079

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₅NO₅
Molecular Mass
337.3261
Exact Mass
337.09502259
Charge
0
InChI
InChI=1S/C19H15NO5/c1-2-23-19(22)17-16(12-24-20-17)18(21)13-8-10-15(11-9-13)25-14-6-4-3-5-7-14/h3-12H,2H2,1H3
InChIKey
BYSJNELHRVBXLK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nocc1C(=O)c1ccc(cc1)Oc1ccccc1
Isomeric Smiles
c1(c(noc1)C(=O)OCC)C(=O)c1ccc(Oc2ccccc2)cc1
Calculated Properties
JChem
Acid pKa
19.483866
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8435667
LogD (pH = 7.4)
3.8435667
Log P
3.8435667
Molar Refractivity
90.7182
Polarizability
34.5886
Polar Surface Area
78.63
Rotatable Bonds
7
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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