Molecule

ID:21988

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₄S
Molecular Mass
297.36996
Exact Mass
297.10347909
Charge
0
InChI
InChI=1S/C14H19NO4S/c1-2-20(18,19)13-5-3-12(4-6-13)15-9-7-11(8-10-15)14(16)17/h3-6,11H,2,7-10H2,1H3,(H,16,17)
InChIKey
FRBUVPVEWVGXHC-UHFFFAOYSA-N
Canonic Smiles
CCS(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)O
Isomeric Smiles
c1c(ccc(c1)N1CCC(CC1)C(=O)O)S(=O)(=O)CC
Calculated Properties
JChem
Acid pKa
3.9974144
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.1848541
LogD (pH = 7.4)
-1.7500072
Log P
1.1306856
Molar Refractivity
77.5377
Polarizability
30.163233
Polar Surface Area
74.68
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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