Molecule

ID:26427

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁NO₂S
Molecular Mass
303.41914
Exact Mass
303.12929992
Charge
0
InChI
InChI=1S/C17H21NO2S/c1-4-9-20-17(19)15-14(10-21-16(15)18)13-7-5-12(6-8-13)11(2)3/h5-8,10-11H,4,9,18H2,1-3H3
InChIKey
OZYYUUOXEJDNGN-UHFFFAOYSA-N
Canonic Smiles
CCCOC(=O)c1c(N)scc1c1ccc(cc1)C(C)C
Isomeric Smiles
c1(c(csc1N)c1ccc(cc1)C(C)C)C(=O)OCCC
Calculated Properties
JChem
Acid pKa
17.599838
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.5157995
LogD (pH = 7.4)
5.5157995
Log P
5.5157995
Molar Refractivity
87.649
Polarizability
34.631035
Polar Surface Area
52.32
Rotatable Bonds
6
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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