Molecule

ID:7809

General Information
Structure
Molecular Formula
C₁₂H₁₂O₄
Molecular Mass
220.22128
Exact Mass
220.07355886
Charge
0
InChI
InChI=1S/C12H12O4/c1-3-15-12(13)10-7-8-5-4-6-9(14-2)11(8)16-10/h4-7H,3H2,1-2H3
InChIKey
SXCMZYVXJUJIDJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc2c(o1)c(OC)ccc2
Isomeric Smiles
c12c(oc(c1)C(=O)OCC)c(ccc2)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.254984
LogD (pH = 7.4)
2.254984
Log P
2.254984
Molar Refractivity
58.0137
Polarizability
23.501087
Polar Surface Area
48.67
Rotatable Bonds
4
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