Molecule

ID:27676

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂O₂S₂
Molecular Mass
330.42456
Exact Mass
330.0496697
Charge
0
InChI
InChI=1S/C16H14N2O2S2/c19-22(20,15-9-7-14(8-10-15)17-12-21)18-11-3-5-13-4-1-2-6-16(13)18/h1-2,4,6-10H,3,5,11H2
InChIKey
KIKROSFKSRRRLN-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)S(=O)(=O)N1CCCc2c1cccc2
Isomeric Smiles
S(=O)(=O)(N1c2c(CCC1)cccc2)c1ccc(N=C=S)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.190869
LogD (pH = 7.4)
4.1908693
Log P
4.1908693
Molar Refractivity
92.7604
Polarizability
35.6722
Polar Surface Area
49.74
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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