Molecule

ID:26316

General Information
Structure
Molecular Formula
C₁₅H₂₃NO₂S
Molecular Mass
281.41362
Exact Mass
281.14494998
Charge
0
InChI
InChI=1S/C15H23NO2S/c1-5-18-14(17)12-10-7-6-9(15(2,3)4)8-11(10)19-13(12)16/h9H,5-8,16H2,1-4H3
InChIKey
WQXAUZCQEXYAOJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(N)sc2c1CCC(C2)C(C)(C)C
Isomeric Smiles
c1(c(sc2c1CCC(C2)C(C)(C)C)N)C(=O)OCC
Calculated Properties
JChem
Acid pKa
18.588037
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.0043902
LogD (pH = 7.4)
5.0043902
Log P
5.0043902
Molar Refractivity
79.3916
Polarizability
30.239788
Polar Surface Area
52.32
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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