Molecule
ID:122300
General Information
Molecular Formula
C₇H₇F₃N₂
Molecular Mass
176.1390896
Exact Mass
176.05613289
Charge
0
InChI
InChI=1S/C7H7F3N2/c8-7(9,10)6-4-2-1-3-5(4)11-12-6/h1-3H2,(H,11,12)
InChIKey
STVFXOQFVSGNKN-UHFFFAOYSA-N
Canonic Smiles
FC(c1n[nH]c2c1CCC2)(F)F
Isomeric Smiles
c1(n[nH]c2c1CCC2)C(F)(F)F
Calculated Properties
JChem
Acid pKa
15.018905
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3129041
LogD (pH = 7.4)
2.3129077
Log P
2.312908
Molar Refractivity
38.2598
Polarizability
13.133842
Polar Surface Area
28.68
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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
Loading...
Bioactivity
Loading...