Molecule

ID:129751

General Information
Structure
Molecular Formula
C₁₆H₁₉NO₂S
Molecular Mass
289.39256
Exact Mass
289.11364985
Charge
0
InChI
InChI=1S/C16H19NO2S/c1-2-6-16(19-12-14-11-17-7-8-18-14)13(4-1)10-15-5-3-9-20-15/h1-6,9,14,17H,7-8,10-12H2
InChIKey
OILWWIVKIDXCIB-UHFFFAOYSA-N
Canonic Smiles
C1COC(CN1)COc1ccccc1Cc1cccs1
Isomeric Smiles
O1CCNCC1COc1ccccc1Cc1sccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.71006167
LogD (pH = 7.4)
2.4394517
Log P
3.2971132
Molar Refractivity
80.7714
Polarizability
31.705744
Polar Surface Area
30.49
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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