Molecule

ID:16757

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₄S
Molecular Mass
249.32716
Exact Mass
249.10347909
Charge
0
InChI
InChI=1S/C10H19NO4S/c1-7(2)5-9(10(12)13)11-8-3-4-16(14,15)6-8/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKey
TVGAJMRKHDUNPB-UHFFFAOYSA-N
Canonic Smiles
CC(CC(C(=O)O)NC1CCS(=O)(=O)C1)C
Isomeric Smiles
S1(=O)(=O)CC(NC(C(=O)O)CC(C)C)CC1
Calculated Properties
JChem
Acid pKa
1.5470738
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.5827553
LogD (pH = 7.4)
-2.590312
Log P
-2.5827754
Molar Refractivity
59.4965
Polarizability
24.713001
Polar Surface Area
83.47
Rotatable Bonds
5
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
No Data Available
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Molecule Details
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References
Bioactivity
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