Molecule
ID:26320
General Information
Molecular Formula
C₁₆H₂₅NO₂S
Molecular Mass
295.4402
Exact Mass
295.16060005
Charge
0
InChI
InChI=1S/C16H25NO2S/c1-5-16(3,4)10-7-8-11-12(9-10)20-14(17)13(11)15(18)19-6-2/h10H,5-9,17H2,1-4H3
InChIKey
FTCNZJDZVHJEIF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(N)sc2c1CCC(C2)C(CC)(C)C
Isomeric Smiles
c1(c(sc2c1CCC(C2)C(CC)(C)C)N)C(=O)OCC
Calculated Properties
JChem
Acid pKa
18.587952
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.448959
LogD (pH = 7.4)
5.448959
Log P
5.448959
Molar Refractivity
83.9926
Polarizability
32.0778
Polar Surface Area
52.32
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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