Molecule
ID:82553
General Information
Molecular Formula
C₁₇H₂₄O₃S₂
Molecular Mass
340.50066
Exact Mass
340.11668663
Charge
0
InChI
InChI=1S/C17H24O3S2/c1-6-10(3)21-16-13-11(8-17(4,5)9-12(13)18)14(22-16)15(19)20-7-2/h10H,6-9H2,1-5H3
InChIKey
AMPIBRMRXUZXOA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1sc(c2c1CC(C)(C)CC2=O)SC(CC)C
Isomeric Smiles
s1c(c2c(c1C(=O)OCC)CC(CC2=O)(C)C)SC(CC)C
Calculated Properties
JChem
Acid pKa
16.784698
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.0239196
LogD (pH = 7.4)
5.0239196
Log P
5.0239196
Molar Refractivity
92.7228
Polarizability
36.093914
Polar Surface Area
43.37
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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