Molecule

ID:96818

General Information
Structure
Molecular Formula
C₃H₆FNO₂
Molecular Mass
107.0836432
Exact Mass
107.03825666
Charge
0
InChI
InChI=1S/C3H6FNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)
InChIKey
UYTSRQMXRROFPU-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)O)CF
Isomeric Smiles
FCC(C(=O)O)N
Calculated Properties
JChem
Acid pKa
1.9548055
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.994591
LogD (pH = 7.4)
-3.0443783
Log P
-2.994349
Molar Refractivity
20.3489
Polarizability
8.250333
Polar Surface Area
63.32
Rotatable Bonds
2
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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