Molecule

ID:93976

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉F₆N
Molecular Mass
305.2183792
Exact Mass
305.06391861
Charge
0
InChI
InChI=1S/C14H9F6N/c15-13(16,17)10-5-9(6-11(7-10)14(18,19)20)8-1-3-12(21)4-2-8/h1-7H,21H2
InChIKey
MGGUROGTKGUOGP-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
Nc1ccc(cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.5433087
LogD (pH = 7.4)
4.5471926
Log P
4.547242
Molar Refractivity
67.842
Polarizability
24.628965
Polar Surface Area
26.02
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