Molecule

ID:118366

General Information
Structure
Molecular Formula
C₁₅H₁₆N₂O₂S
Molecular Mass
288.36474
Exact Mass
288.09324876
Charge
0
InChI
InChI=1S/C15H16N2O2S/c16-13-9-8-12-5-4-10-17(15(12)11-13)20(18,19)14-6-2-1-3-7-14/h1-3,6-9,11H,4-5,10,16H2
InChIKey
ZVPDULXKESRILS-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)N(CCC2)S(=O)(=O)c1ccccc1
Isomeric Smiles
S(=O)(=O)(N1c2cc(N)ccc2CCC1)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3233595
LogD (pH = 7.4)
2.3399034
Log P
2.3401184
Molar Refractivity
80.3979
Polarizability
31.118307
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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