Molecule

ID:8841

General Information
Structure
MolImage
Molecular Formula
C₅H₅F₆NO₂
Molecular Mass
225.0891192
Exact Mass
225.02244773
Charge
0
InChI
InChI=1S/C5H5F6NO2/c6-4(7,8)2(5(9,10)11)1(12)3(13)14/h1-2H,12H2,(H,13,14)
InChIKey
KRNSHCKTGFAMPQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(C(F)(F)F)C(F)(F)F)N
Isomeric Smiles
C(N)(C(C(F)(F)F)C(F)(F)F)C(=O)O
Calculated Properties
JChem
Acid pKa
0.74339753
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.5514526
LogD (pH = 7.4)
-1.5603529
Log P
-1.5513872
Molar Refractivity
31.2063
Polarizability
11.930862
Polar Surface Area
63.32
Rotatable Bonds
4
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