Molecule

ID:26786

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₂S
Molecular Mass
288.36474
Exact Mass
288.09324876
Charge
0
InChI
InChI=1S/C15H16N2O2S/c16-13-7-9-14(10-8-13)20(18,19)17-11-3-5-12-4-1-2-6-15(12)17/h1-2,4,6-10H,3,5,11,16H2
InChIKey
OFHUMRFYQYBKIN-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)S(=O)(=O)N1CCCc2c1cccc2
Isomeric Smiles
S(=O)(=O)(N1c2c(CCC1)cccc2)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3398535
LogD (pH = 7.4)
2.340115
Log P
2.3401184
Molar Refractivity
80.3979
Polarizability
31.117723
Polar Surface Area
63.4
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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