Molecule

ID:12045

General Information
Structure
MolImage
Molecular Formula
C₆H₄F₈N₂O₂
Molecular Mass
288.0953856
Exact Mass
288.01450314
Charge
0
InChI
InChI=1S/C6H4F8N2O2/c7-3(8,1(15)17)5(11,12)6(13,14)4(9,10)2(16)18/h(H2,15,17)(H2,16,18)
InChIKey
SVURUIRNGAQISR-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C(C(C(C(C(=O)N)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(=O)N)(F)F)(F)F)(C(C(=O)N)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
4.6903424
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.3873546
LogD (pH = 7.4)
1.4776978
Log P
0.9249341
Molar Refractivity
36.755
Polarizability
14.330136
Polar Surface Area
86.18
Rotatable Bonds
5
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