Molecule

ID:59688

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆O₆
Molecular Mass
292.28394
Exact Mass
292.09468823
Charge
0
InChI
InChI=1S/C15H16O6/c1-4-20-12(16)7-9-8-13(17)21-14-10(9)5-6-11(18-2)15(14)19-3/h5-6,8H,4,7H2,1-3H3
InChIKey
WPFQNTRRXWNKHH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1cc(=O)oc2c1ccc(c2OC)OC
Isomeric Smiles
c12c(c(cc(=O)o2)CC(=O)OCC)ccc(c1OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.3944407
LogD (pH = 7.4)
1.3944407
Log P
1.3944407
Molar Refractivity
74.5411
Polarizability
28.933125
Polar Surface Area
71.06
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