Molecule
ID:81543
General Information
Molecular Formula
C₁₃H₁₇NO₂S₂
Molecular Mass
283.40958
Exact Mass
283.07007079
Charge
0
InChI
InChI=1S/C13H17NO2S2/c1-3-15-12(16-4-2)9-17-13-14-10-7-5-6-8-11(10)18-13/h5-8,12H,3-4,9H2,1-2H3
InChIKey
QQQBROKHBIJLTG-UHFFFAOYSA-N
Canonic Smiles
CCOC(CSc1nc2c(s1)cccc2)OCC
Isomeric Smiles
n1c(sc2ccccc12)SCC(OCC)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8830793
LogD (pH = 7.4)
3.8830948
Log P
3.883095
Molar Refractivity
75.9963
Polarizability
31.12981
Polar Surface Area
31.35
Rotatable Bonds
7
Lipinski's Rule of Five
true
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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