Molecule

ID:59846

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆O₅
Molecular Mass
324.32734
Exact Mass
324.09977361
Charge
0
InChI
InChI=1S/C19H16O5/c1-12-15-8-7-14(23-11-18(20)21)10-17(15)24-19(22)16(12)9-13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3,(H,20,21)
InChIKey
RDBWTPZPKRABOQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)COc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1
Isomeric Smiles
c1(c(=O)oc2c(c1C)ccc(c2)OCC(=O)O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
3.1131032
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.0185156
LogD (pH = 7.4)
-0.082532346
Log P
3.3769894
Molar Refractivity
87.4315
Polarizability
33.852077
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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