Molecule

ID:121207

General Information
Structure
MolImage
Molecular Formula
C₈H₂F₃NO₂
Molecular Mass
201.1021896
Exact Mass
201.00376297
Charge
0
InChI
InChI=1S/C8H2F3NO2/c9-2-1-3-4(6(11)5(2)10)7(13)8(14)12-3/h1H,(H,12,13,14)
InChIKey
QWDKZDRPORBMKV-UHFFFAOYSA-N
Canonic Smiles
O=C1Nc2c(C1=O)c(F)c(c(c2)F)F
Isomeric Smiles
c12c(c(c(cc1NC(=O)C2=O)F)F)F
Calculated Properties
JChem
Acid pKa
8.657615
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0293624
LogD (pH = 7.4)
2.0074852
Log P
2.0296493
Molar Refractivity
41.1242
Polarizability
14.093187
Polar Surface Area
46.17
Rotatable Bonds
0
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
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References
Bioactivity
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