Molecule

ID:65335

General Information
Structure
Molecular Formula
C₁₀H₁₉NO₄S
Molecular Mass
249.32716
Exact Mass
249.10347909
Charge
0
InChI
InChI=1S/C10H19NO4S/c1-10(2,3)15-9(12)11-8-4-6-16(13,14)7-5-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKey
XKAPOJQKLRKFFV-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NC1CCS(=O)(=O)CC1
Isomeric Smiles
C1C(CCS(=O)(=O)C1)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.520458
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.29331812
LogD (pH = 7.4)
-0.29331815
Log P
-0.29331812
Molar Refractivity
60.6218
Polarizability
24.584335
Polar Surface Area
72.47
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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