Molecule

ID:6495

General Information
Structure
Molecular Formula
C₇H₄F₄N₂O
Molecular Mass
208.1130728
Exact Mass
208.02597564
Charge
0
InChI
InChI=1S/C7H4F4N2O/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h12H2,(H2,13,14)
InChIKey
CAERPAFTLPIDJT-UHFFFAOYSA-N
Canonic Smiles
Fc1c(N)c(F)c(c(c1F)C(=O)N)F
Isomeric Smiles
c1(c(c(c(c(c1F)F)N)F)F)C(=O)N
Calculated Properties
JChem
Acid pKa
11.035355
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.56576896
LogD (pH = 7.4)
0.5658502
Log P
0.5657679
Molar Refractivity
40.7024
Polarizability
13.755113
Polar Surface Area
69.11
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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