Molecule

ID:59448

General Information
Structure
MolImage
Molecular Formula
C₉H₄F₈
Molecular Mass
264.1152856
Exact Mass
264.01852589
Charge
0
InChI
InChI=1S/C9H4F8/c10-7(11)4-1-5(8(12,13)14)3-6(2-4)9(15,16)17/h1-3,7H
InChIKey
MXQPEQHFFVOTBY-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)F
Isomeric Smiles
c1(cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.1180305
LogD (pH = 7.4)
4.1180305
Log P
4.1180305
Molar Refractivity
43.0894
Polarizability
15.000056
Polar Surface Area
0.0
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