Molecule

ID:97583

General Information
Structure
Molecular Formula
C₈H₁₁F₃O₃
Molecular Mass
212.1663496
Exact Mass
212.06602887
Charge
0
InChI
InChI=1S/C8H11F3O3/c1-5(2)4-7(13,6(12)14-3)8(9,10)11/h13H,1,4H2,2-3H3
InChIKey
HMDKXEVTOYZRSE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(F)(F)F)(CC(=C)C)O
Isomeric Smiles
O(C)C(=O)C(C(F)(F)F)(O)CC(=C)C
Calculated Properties
JChem
Acid pKa
8.908873
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6114138
LogD (pH = 7.4)
1.5983449
Log P
1.611583
Molar Refractivity
42.4748
Polarizability
16.213554
Polar Surface Area
46.53
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