Molecule

ID:27686

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂O₂S₂
Molecular Mass
330.42456
Exact Mass
330.0496697
Charge
0
InChI
InChI=1S/C16H14N2O2S2/c19-22(20,16-7-5-15(6-8-16)17-12-21)18-10-9-13-3-1-2-4-14(13)11-18/h1-8H,9-11H2
InChIKey
FBMNUNRKHMOXIA-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)cccc2
Isomeric Smiles
S(=O)(=O)(N1Cc2c(CC1)cccc2)c1ccc(N=C=S)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8128152
LogD (pH = 7.4)
3.8128157
Log P
3.8128157
Molar Refractivity
92.9944
Polarizability
35.676266
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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