Molecule

ID:60568

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₄S
Molecular Mass
297.36996
Exact Mass
297.10347909
Charge
0
InChI
InChI=1S/C14H19NO4S/c1-11-2-4-13(5-3-11)20(18,19)15-8-6-12(7-9-15)10-14(16)17/h2-5,12H,6-10H2,1H3,(H,16,17)
InChIKey
YAYAFLZEHPABCA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C
Isomeric Smiles
C1N(CCC(C1)CC(=O)O)S(=O)(=O)c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
3.6386576
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.056289334
LogD (pH = 7.4)
-1.5273933
Log P
1.8017622
Molar Refractivity
76.0075
Polarizability
30.08614
Polar Surface Area
74.68
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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