Molecule

ID:86352

General Information
Structure
Molecular Formula
C₁₇H₂₃NS
Molecular Mass
273.43622
Exact Mass
273.15512074
Charge
0
InChI
InChI=1S/C17H23NS/c1-16(2,3)13-9-7-12(8-10-13)15-18-14(11-19-15)17(4,5)6/h7-11H,1-6H3
InChIKey
KWFRDEBPCNGJEF-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)c1scc(n1)C(C)(C)C)(C)C
Isomeric Smiles
n1c(c2ccc(cc2)C(C)(C)C)scc1C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.1325116
LogD (pH = 7.4)
6.1327686
Log P
6.1327715
Molar Refractivity
93.3278
Polarizability
32.98664
Polar Surface Area
12.89
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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