Molecule
ID:98388
General Information
Molecular Formula
C₄H₆F₃NO₂
Molecular Mass
157.0911496
Exact Mass
157.0350631
Charge
0
InChI
InChI=1S/C4H6F3NO2/c5-4(6,7)2(9)1-3(8)10/h2,9H,1H2,(H2,8,10)
InChIKey
BISBCYIQXZYLBB-UHFFFAOYSA-N
Canonic Smiles
OC(C(F)(F)F)CC(=O)N
Isomeric Smiles
FC(F)(C(CC(=O)N)O)F
Calculated Properties
JChem
Acid pKa
11.166283
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.5956612
LogD (pH = 7.4)
-0.5957293
Log P
-0.5956603
Molar Refractivity
25.9878
Polarizability
9.844224
Polar Surface Area
63.32
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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