Molecule

ID:94392

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁F₃N₂
Molecular Mass
192.1815496
Exact Mass
192.08743302
Charge
0
InChI
InChI=1S/C8H11F3N2/c1-7(2,3)13-5-12-4-6(13)8(9,10)11/h4-5H,1-3H3
InChIKey
AMELBPJWJCGTTH-UHFFFAOYSA-N
Canonic Smiles
FC(c1cncn1C(C)(C)C)(F)F
Isomeric Smiles
n1(c(cnc1)C(F)(F)F)C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7426039
LogD (pH = 7.4)
1.9266526
Log P
1.9302611
Molar Refractivity
43.5663
Polarizability
15.658189
Polar Surface Area
17.82
Rotatable Bonds
2
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