Molecule

ID:96614

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉F₃O₃
Molecular Mass
246.1825696
Exact Mass
246.05037881
Charge
0
InChI
InChI=1S/C11H9F3O3/c1-16-10(15)7-4-8-2-5-9(6-3-8)17-11(12,13)14/h2-7H,1H3
InChIKey
MIVYMUINRMQQIT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)/C=C/c1ccc(cc1)OC(F)(F)F
Isomeric Smiles
O(c1ccc(cc1)/C=C/C(=O)OC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9464252
LogD (pH = 7.4)
3.9464252
Log P
3.9464252
Molar Refractivity
50.8993
Polarizability
20.22948
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