Molecule

ID:80864

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂O₄
Molecular Mass
208.21058
Exact Mass
208.07355886
Charge
0
InChI
InChI=1S/C11H12O4/c1-13-9-3-7-5-11(12)15-6-8(7)4-10(9)14-2/h3-4H,5-6H2,1-2H3
InChIKey
XEZRPKWKRMROBK-UHFFFAOYSA-N
Canonic Smiles
COc1cc2CC(=O)OCc2cc1OC
Isomeric Smiles
O1C(=O)Cc2c(cc(c(c2)OC)OC)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.192773
LogD (pH = 7.4)
1.192773
Log P
1.192773
Molar Refractivity
53.6157
Polarizability
20.949547
Polar Surface Area
44.76
Rotatable Bonds
2
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