Molecule

ID:26410

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃NO₂S
Molecular Mass
329.45642
Exact Mass
329.14494998
Charge
0
InChI
InChI=1S/C19H23NO2S/c1-2-22-19(21)17-16(12-23-18(17)20)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-13H,2-7,20H2,1H3
InChIKey
ALZUZJDASXBUEH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(N)scc1c1ccc(cc1)C1CCCCC1
Isomeric Smiles
c1(c(csc1N)c1ccc(cc1)C1CCCCC1)C(=O)OCC
Calculated Properties
JChem
Acid pKa
17.60009
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.8632574
LogD (pH = 7.4)
5.8632574
Log P
5.8632574
Molar Refractivity
95.1258
Polarizability
37.585693
Polar Surface Area
52.32
Rotatable Bonds
5
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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