Molecule

ID:97055

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉F₃O₂
Molecular Mass
230.1831696
Exact Mass
230.05546419
Charge
0
InChI
InChI=1S/C11H9F3O2/c1-2-10(15)16-7-8-4-3-5-9(6-8)11(12,13)14/h2-6H,1,7H2
InChIKey
ZVVBHXGKXLHUMM-UHFFFAOYSA-N
Canonic Smiles
C=CC(=O)OCc1cccc(c1)C(F)(F)F
Isomeric Smiles
FC(c1cccc(c1)COC(=O)C=C)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5144963
LogD (pH = 7.4)
3.5144963
Log P
3.5144963
Molar Refractivity
52.6468
Polarizability
19.37911
Polar Surface Area
26.3
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