Molecule

ID:15278

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₅N₂O
Molecular Mass
214.092836
Exact Mass
214.01655383
Charge
0
InChI
InChI=1S/C6H3F5N2O/c7-5(8,6(9,10)11)4(14)13-2-1-12-3-13/h1-3H
InChIKey
VZUSRIIEPFQBNE-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C(F)(F)F)(F)F)n1cncc1
Isomeric Smiles
c1nccn1C(=O)C(C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0068644
LogD (pH = 7.4)
1.0075475
Log P
1.0075562
Molar Refractivity
33.9613
Polarizability
12.462894
Polar Surface Area
34.89
Rotatable Bonds
2
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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