Molecule

ID:27702

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆N₂O₂S₂
Molecular Mass
344.45114
Exact Mass
344.06531976
Charge
0
InChI
InChI=1S/C17H16N2O2S2/c1-13-6-7-14-4-2-3-5-17(14)19(13)23(20,21)16-10-8-15(9-11-16)18-12-22/h2-5,8-11,13H,6-7H2,1H3
InChIKey
TUEPVZRQWTUJEB-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)S(=O)(=O)N1C(C)CCc2c1cccc2
Isomeric Smiles
S(=O)(=O)(N1c2c(CCC1C)cccc2)c1ccc(N=C=S)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.6074443
LogD (pH = 7.4)
4.607445
Log P
4.607445
Molar Refractivity
97.1792
Polarizability
37.51424
Polar Surface Area
49.74
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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