Molecule

ID:97022

General Information
Structure
MolImage
Molecular Formula
C₅H₉FN₂O₃
Molecular Mass
164.1349632
Exact Mass
164.05972038
Charge
0
InChI
InChI=1S/C5H9FN2O3/c6-2(4(8)9)1-3(7)5(10)11/h2-3H,1,7H2,(H2,8,9)(H,10,11)/t2-,3-/m1/s1
InChIKey
PGEYFCBAWGQSGT-PWNYCUMCSA-N
Canonic Smiles
F[C@@H](C(=O)N)C[C@H](C(=O)O)N
Isomeric Smiles
NC(=O)[C@@H](C[C@H](C(=O)O)N)F
Calculated Properties
JChem
Acid pKa
2.0146906
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-4.053897
LogD (pH = 7.4)
-4.059791
Log P
-4.053983
Molar Refractivity
32.8664
Polarizability
13.202413
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
No Data Available
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Molecule Details
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References
Bioactivity
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