Molecule

ID:57019

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₃NO₄
Molecular Mass
295.28942
Exact Mass
295.0844579
Charge
0
InChI
InChI=1S/C17H13NO4/c1-22-16-8-10(6-7-15(16)19)14-9-12(17(20)21)11-4-2-3-5-13(11)18-14/h2-9,19H,1H3,(H,20,21)
InChIKey
YDQQULBSEAGHCV-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1O)c1nc2ccccc2c(c1)C(=O)O
Isomeric Smiles
c1ccc2c(c1)c(cc(n2)c1cc(c(cc1)O)OC)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5722206
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.4275656
LogD (pH = 7.4)
0.0014126793
Log P
3.3603225
Molar Refractivity
80.4438
Polarizability
33.35706
Polar Surface Area
79.65
Rotatable Bonds
3
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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