Molecule

ID:28221

General Information
Structure
Molecular Formula
C₁₆H₁₄O₄
Molecular Mass
270.27996
Exact Mass
270.08920893
Charge
0
InChI
InChI=1S/C16H14O4/c1-19-16-9-12(10-17)7-8-15(16)20-11-14(18)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey
YCEPMNIGSKPMIO-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)ccc1OCC(=O)c1ccccc1
Isomeric Smiles
c1(c(OCC(=O)c2ccccc2)ccc(c1)C=O)OC
Calculated Properties
JChem
Acid pKa
16.622026
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.602628
LogD (pH = 7.4)
2.602628
Log P
2.602628
Molar Refractivity
75.4701
Polarizability
28.74569
Polar Surface Area
52.6
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation