Molecule

ID:35348

General Information
Structure
Molecular Formula
C₁₄H₁₆N₂O₂S
Molecular Mass
276.35404
Exact Mass
276.09324876
Charge
0
InChI
InChI=1S/C14H16N2O2S/c1-10-3-4-11(2)14(9-10)16-19(17,18)13-7-5-12(15)6-8-13/h3-9,16H,15H2,1-2H3
InChIKey
FPFZOIOKBHAJLB-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)ccc1C
Isomeric Smiles
S(=O)(=O)(Nc1c(ccc(c1)C)C)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
8.509262
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.6581867
LogD (pH = 7.4)
2.630138
Log P
2.658828
Molar Refractivity
77.673
Polarizability
29.853954
Polar Surface Area
72.19
Rotatable Bonds
2
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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