Molecule

ID:120027

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆O₅
Molecular Mass
324.32734
Exact Mass
324.09977361
Charge
0
InChI
InChI=1S/C19H16O5/c1-23-16-11-17-15(9-13(16)7-8-18(20)21)14(10-19(22)24-17)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,20,21)
InChIKey
SJBWTUCBGAUSSF-UHFFFAOYSA-N
Canonic Smiles
COc1cc2oc(=O)cc(c2cc1CCC(=O)O)c1ccccc1
Isomeric Smiles
c1(c2c(oc(=O)c1)cc(c(c2)CCC(=O)O)OC)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.7298207
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3712085
LogD (pH = 7.4)
-0.15200832
Log P
3.1412039
Molar Refractivity
97.4731
Polarizability
33.84237
Polar Surface Area
72.83
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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