Molecule

ID:113314

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆O₄
Molecular Mass
308.32794
Exact Mass
308.10485899
Charge
0
InChI
InChI=1S/C19H16O4/c1-12(2)11-22-14-8-9-16-15(10-14)17(19(20)21)18(23-16)13-6-4-3-5-7-13/h3-10H,1,11H2,2H3,(H,20,21)
InChIKey
MLLZKUQZGFNQNG-UHFFFAOYSA-N
Canonic Smiles
CC(=C)COc1ccc2c(c1)c(C(=O)O)c(o2)c1ccccc1
Isomeric Smiles
c1(c(oc2c1cc(OCC(=C)C)cc2)c1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.263873
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9156861
LogD (pH = 7.4)
1.1851214
Log P
4.1741185
Molar Refractivity
87.0769
Polarizability
35.83253
Polar Surface Area
59.67
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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