Molecule

ID:62159

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₃
Molecular Mass
206.23776
Exact Mass
206.09429431
Charge
0
InChI
InChI=1S/C12H14O3/c1-9(10-6-4-3-5-7-10)11(13)8-12(14)15-2/h3-7,9H,8H2,1-2H3
InChIKey
OGKWBEZBGZPJGJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)C(c1ccccc1)C
Isomeric Smiles
C(=O)(CC(=O)OC)C(c1ccccc1)C
Calculated Properties
JChem
Acid pKa
10.857049
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7550597
LogD (pH = 7.4)
2.7549102
Log P
2.5217285
Molar Refractivity
56.6044
Polarizability
22.213219
Polar Surface Area
43.37
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