Molecule

ID:53048

General Information
Structure
MolImage
Molecular Formula
C₄H₈FNO₃
Molecular Mass
137.1096232
Exact Mass
137.04882134
Charge
0
InChI
InChI=1S/C4H8FNO3/c5-1-2(7)3(6)4(8)9/h2-3,7H,1,6H2,(H,8,9)/t2-,3+/m1/s1
InChIKey
GTFWIYJIEXNAOL-GBXIJSLDSA-N
Canonic Smiles
FC[C@H]([C@@H](C(=O)O)N)O
Isomeric Smiles
OC(=O)[C@H]([C@@H](CF)O)N
Calculated Properties
JChem
Acid pKa
1.961404
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.6269228
LogD (pH = 7.4)
-3.6390445
Log P
-3.6270401
Molar Refractivity
26.3114
Polarizability
10.763782
Polar Surface Area
83.55
Rotatable Bonds
3
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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