Molecule

ID:43075

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂O₄
Molecular Mass
208.21058
Exact Mass
208.07355886
Charge
0
InChI
InChI=1S/C11H12O4/c1-8(12)15-7-11(13)9-3-5-10(14-2)6-4-9/h3-6H,7H2,1-2H3
InChIKey
CZNYQWIMWIBATO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)COC(=O)C
Isomeric Smiles
C(=O)(c1ccc(cc1)OC)COC(=O)C
Calculated Properties
JChem
Acid pKa
13.903652
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.99709946
LogD (pH = 7.4)
0.9970993
Log P
0.99709946
Molar Refractivity
53.7777
Polarizability
21.055809
Polar Surface Area
52.6
Rotatable Bonds
5
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