Molecule

ID:25904

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆O₃
Molecular Mass
208.25364
Exact Mass
208.10994437
Charge
0
InChI
InChI=1S/C12H16O3/c1-4-14-12-7-10(8-13)5-6-11(12)15-9(2)3/h5-9H,4H2,1-3H3
InChIKey
BONBRXUQMCNSCR-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C=O)ccc1OC(C)C
Isomeric Smiles
c1(c(cc(C=O)cc1)OCC)OC(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5005965
LogD (pH = 7.4)
2.5005965
Log P
2.5005965
Molar Refractivity
59.4844
Polarizability
22.78145
Polar Surface Area
35.53
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