Molecule

ID:21492

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₂S
Molecular Mass
290.38062
Exact Mass
290.10889883
Charge
0
InChI
InChI=1S/C15H18N2O2S/c1-10-8-11(2)15(12(3)9-10)17-20(18,19)14-6-4-13(16)5-7-14/h4-9,17H,16H2,1-3H3
InChIKey
XBMADYXUVVGVFF-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(c(c1)C)NS(=O)(=O)c1ccc(cc1)N
Isomeric Smiles
S(=O)(=O)(Nc1c(cc(cc1C)C)C)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
8.709187
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.1717076
LogD (pH = 7.4)
3.1538646
Log P
3.1722493
Molar Refractivity
82.7142
Polarizability
31.617811
Polar Surface Area
72.19
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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