Molecule

ID:41132

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇NO₄S
Molecular Mass
283.34338
Exact Mass
283.08782903
Charge
0
InChI
InChI=1S/C13H17NO4S/c1-18-13(15)11-7-9-14(10-8-11)19(16,17)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKey
PFLNGTSVVWOTQA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1
Isomeric Smiles
S(=O)(=O)(N1CCC(C(=O)OC)CC1)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2456334
LogD (pH = 7.4)
1.2456334
Log P
1.2456334
Molar Refractivity
71.1603
Polarizability
28.573061
Polar Surface Area
63.68
Rotatable Bonds
3
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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