Molecule

ID:9242

General Information
Structure
MolImage
Molecular Formula
C₇H₇F₃N₂
Molecular Mass
176.1390896
Exact Mass
176.05613289
Charge
0
InChI
InChI=1S/C7H7F3N2/c8-7(9,10)5-3-1-2-4-6(5)12-11/h1-4,12H,11H2
InChIKey
JSWQDLBFVSTSIW-UHFFFAOYSA-N
Canonic Smiles
NNc1ccccc1C(F)(F)F
Isomeric Smiles
c1ccc(c(c1)NN)C(F)(F)F
Calculated Properties
JChem
Acid pKa
18.315796
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.10267
LogD (pH = 7.4)
2.2406328
Log P
2.2427368
Molar Refractivity
41.7384
Polarizability
14.08499
Polar Surface Area
38.05
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
References
Bioactivity
Navigation