Molecule
ID:93176
General Information
Molecular Formula
C₄H₈FNO₂
Molecular Mass
121.1102232
Exact Mass
121.05390672
Charge
0
InChI
InChI=1S/C4H8FNO2/c5-3(1-2-6)4(7)8/h3H,1-2,6H2,(H,7,8)
InChIKey
ASXBTBJGHQPOPY-UHFFFAOYSA-N
Canonic Smiles
NCCC(C(=O)O)F
Isomeric Smiles
OC(=O)C(CCN)F
Calculated Properties
JChem
Acid pKa
3.547004
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.9411347
LogD (pH = 7.4)
-2.9379468
Log P
-2.9375637
Molar Refractivity
25.2143
Polarizability
10.033006
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
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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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