Molecule

ID:95157

General Information
Structure
MolImage
Molecular Formula
C₅H₉FN₂O₃
Molecular Mass
164.1349632
Exact Mass
164.05972038
Charge
0
InChI
InChI=1S/C5H9FN2O3/c6-5(8,4(10)11)2-1-3(7)9/h1-2,8H2,(H2,7,9)(H,10,11)
InChIKey
SFRQIQMVUGFBRW-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CCC(C(=O)O)(F)N
Isomeric Smiles
NC(C(=O)O)(F)CCC(=O)N
Calculated Properties
JChem
Acid pKa
3.5703037
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.335246
LogD (pH = 7.4)
-4.647963
Log P
-1.5338769
Molar Refractivity
33.3818
Polarizability
13.204224
Polar Surface Area
106.41
Rotatable Bonds
4
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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