Molecule

ID:86336

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂O₃
Molecular Mass
168.18978
Exact Mass
168.07864424
Charge
0
InChI
InChI=1S/C9H12O3/c1-4-11-9(10)8-5-6(2)12-7(8)3/h5H,4H2,1-3H3
InChIKey
DNYLSCDHFCSDRM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(oc1C)C
Isomeric Smiles
o1c(c(cc1C)C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8728989
LogD (pH = 7.4)
1.8728989
Log P
1.8728989
Molar Refractivity
45.6447
Polarizability
17.022839
Polar Surface Area
39.44
Rotatable Bonds
3
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