Molecule

ID:21518

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₂S
Molecular Mass
276.35404
Exact Mass
276.09324876
Charge
0
InChI
InChI=1S/C14H16N2O2S/c15-13-6-8-14(9-7-13)19(17,18)16-11-10-12-4-2-1-3-5-12/h1-9,16H,10-11,15H2
InChIKey
BYWZPUPRVIECEC-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)S(=O)(=O)NCCc1ccccc1
Isomeric Smiles
S(=O)(=O)(c1ccc(N)cc1)NCCc1ccccc1
Calculated Properties
JChem
Acid pKa
10.936827
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.9868687
LogD (pH = 7.4)
1.9870456
Log P
1.987161
Molar Refractivity
77.1806
Polarizability
30.013618
Polar Surface Area
72.19
Rotatable Bonds
4
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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