Molecule
ID:60172
General Information
Molecular Formula
C₁₁H₁₂O₄
Molecular Mass
208.21058
Exact Mass
208.07355886
Charge
0
InChI
InChI=1S/C11H12O4/c1-7(12)8-4-5-10(14-2)9(6-8)11(13)15-3/h4-6H,1-3H3
InChIKey
KPDRDAXDDZAPHS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(ccc1OC)C(=O)C
Isomeric Smiles
c1cc(cc(c1OC)C(=O)OC)C(=O)C
Calculated Properties
JChem
Acid pKa
16.039263
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3766991
LogD (pH = 7.4)
1.3766991
Log P
1.3766991
Molar Refractivity
54.9493
Polarizability
21.031208
Polar Surface Area
52.6
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...