Molecule

ID:26499

General Information
Structure
Molecular Formula
C₁₆H₂₅NO₂S
Molecular Mass
295.4402
Exact Mass
295.16060005
Charge
0
InChI
InChI=1S/C16H25NO2S/c1-19-16(18)14-12-10-8-6-4-2-3-5-7-9-11-13(12)20-15(14)17/h2-11,17H2,1H3
InChIKey
OQGJIDZQAODQGC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(N)sc2c1CCCCCCCCCC2
Isomeric Smiles
c1(c(sc2c1CCCCCCCCCC2)N)C(=O)OC
Calculated Properties
JChem
Acid pKa
18.625128
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.9963403
LogD (pH = 7.4)
5.9963403
Log P
5.9963403
Molar Refractivity
84.0757
Polarizability
32.0778
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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