Molecule

ID:11087

General Information
Structure
Molecular Formula
C₁₄H₁₅NO₄S
Molecular Mass
293.3382
Exact Mass
293.07217897
Charge
0
InChI
InChI=1S/C14H15NO4S/c1-2-13(14(16)17)15-20(18,19)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13,15H,2H2,1H3,(H,16,17)
InChIKey
JHMNSCZBIJSNRA-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)O)NS(=O)(=O)c1ccc2c(c1)cccc2
Isomeric Smiles
S(=O)(=O)(NC(C(=O)O)CC)c1cc2c(cc1)cccc2
Calculated Properties
JChem
Acid pKa
3.391533
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.26602077
LogD (pH = 7.4)
-1.0441611
Log P
2.3616993
Molar Refractivity
74.6653
Polarizability
30.982822
Polar Surface Area
83.47
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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