Molecule
ID:122063
General Information
Molecular Formula
C₁₅H₁₉FN₂O₅S
Molecular Mass
358.3851632
Exact Mass
358.09987094
Charge
0
InChI
InChI=1S/C15H19FN2O5S/c16-12-3-5-13(6-4-12)24(22,23)18-9-1-2-11(10-18)15(21)17-8-7-14(19)20/h3-6,11H,1-2,7-10H2,(H,17,21)(H,19,20)
InChIKey
AAKPWRIZWQJRRP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCNC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)F
Isomeric Smiles
S(=O)(=O)(N1CC(C(=O)NCCC(=O)O)CCC1)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
3.722332
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.2471637
LogD (pH = 7.4)
-2.7662644
Log P
0.53007823
Molar Refractivity
83.9565
Polarizability
33.044968
Polar Surface Area
103.78
Rotatable Bonds
5
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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