Molecule

ID:119461

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆O₄
Molecular Mass
260.28514
Exact Mass
260.10485899
Charge
0
InChI
InChI=1S/C15H16O4/c1-3-4-5-6-15(17)19-11-14(16)12-7-9-13(18-2)10-8-12/h3-10H,11H2,1-2H3/b4-3+,6-5+
InChIKey
RQSGCFSHKSIUTB-VNKDHWASSA-N
Canonic Smiles
C/C=C/C=C/C(=O)OCC(=O)c1ccc(cc1)OC
Isomeric Smiles
C(=O)(/C=C/C=C/C)OCC(=O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
13.897296
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.9005764
LogD (pH = 7.4)
2.9005764
Log P
2.9005764
Molar Refractivity
74.4175
Polarizability
27.911064
Polar Surface Area
52.6
Rotatable Bonds
7
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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