Molecule

ID:26467

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₂S
Molecular Mass
275.36598
Exact Mass
275.09799979
Charge
0
InChI
InChI=1S/C15H17NO2S/c1-8-5-6-9(2)11(7-8)12-10(3)19-14(16)13(12)15(17)18-4/h5-7H,16H2,1-4H3
InChIKey
FINVIYWCFKWHBK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(N)sc(c1c1cc(C)ccc1C)C
Isomeric Smiles
c1(c(c(sc1C)N)C(=O)OC)c1c(ccc(c1)C)C
Calculated Properties
JChem
Acid pKa
18.511513
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.0641637
LogD (pH = 7.4)
5.0641637
Log P
5.0641637
Molar Refractivity
79.3243
Polarizability
30.784626
Polar Surface Area
52.32
Rotatable Bonds
2
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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