Molecule

ID:98130

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀F₆O₂
Molecular Mass
312.2077192
Exact Mass
312.05849888
Charge
0
InChI
InChI=1S/C13H10F6O2/c1-8(2)10(20)21-11(12(14,15)16,13(17,18)19)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InChIKey
SFYAZQDOFPKNOH-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=C)C)OC(C(F)(F)F)(C(F)(F)F)c1ccccc1
Isomeric Smiles
O=C(OC(c1ccccc1)(C(F)(F)F)C(F)(F)F)C(=C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.9259267
LogD (pH = 7.4)
4.9259267
Log P
4.9259267
Molar Refractivity
61.4902
Polarizability
22.741972
Polar Surface Area
26.3
Rotatable Bonds
6
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