Molecule

ID:64096

General Information
Structure
Molecular Formula
C₄H₃F₃N₂O
Molecular Mass
152.0746296
Exact Mass
152.01974739
Charge
0
InChI
InChI=1S/C4H3F3N2O/c5-4(6,7)2-1-10-3(8)9-2/h1H,(H2,8,9)
InChIKey
LUSFWEXIRSHBNN-UHFFFAOYSA-N
Canonic Smiles
FC(c1coc(n1)N)(F)F
Isomeric Smiles
c1(nc(oc1)N)C(F)(F)F
Calculated Properties
JChem
Acid pKa
13.801986
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0341583
LogD (pH = 7.4)
1.0341599
Log P
1.03416
Molar Refractivity
26.5428
Polarizability
9.195754
Polar Surface Area
52.05
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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