Molecule

ID:26399

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₂S
Molecular Mass
275.36598
Exact Mass
275.09799979
Charge
0
InChI
InChI=1S/C15H17NO2S/c1-4-18-15(17)13-12(8-19-14(13)16)11-7-9(2)5-6-10(11)3/h5-8H,4,16H2,1-3H3
InChIKey
ZPSZGZTWODVJET-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(N)scc1c1cc(C)ccc1C
Isomeric Smiles
c1(c(c(sc1)N)C(=O)OCC)c1c(ccc(c1)C)C
Calculated Properties
JChem
Acid pKa
17.594082
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.7751107
LogD (pH = 7.4)
4.7751107
Log P
4.7751107
Molar Refractivity
79.0166
Polarizability
30.866404
Polar Surface Area
52.32
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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