Molecule

ID:54800

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆O₄
Molecular Mass
260.28514
Exact Mass
260.10485899
Charge
0
InChI
InChI=1S/C15H16O4/c1-2-19-15(18)14-12(8-11(16)9-13(14)17)10-6-4-3-5-7-10/h3-7,12,14H,2,8-9H2,1H3
InChIKey
BXVBHUOYUZLPLZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1C(=O)CC(=O)CC1c1ccccc1
Isomeric Smiles
C1(C(=O)CC(=O)CC1c1ccccc1)C(=O)OCC
Calculated Properties
JChem
Acid pKa
8.861346
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7122593
LogD (pH = 7.4)
2.6976998
Log P
2.4791148
Molar Refractivity
69.3936
Polarizability
27.09848
Polar Surface Area
60.44
Rotatable Bonds
4
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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