Molecule

ID:27696

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂S₂
Molecular Mass
270.37106
Exact Mass
270.0496697
Charge
0
InChI
InChI=1S/C11H14N2O2S2/c1-3-13(4-2)17(14,15)11-7-5-10(6-8-11)12-9-16/h5-8H,3-4H2,1-2H3
InChIKey
DNXFWDVJEABOIH-UHFFFAOYSA-N
Canonic Smiles
CCN(S(=O)(=O)c1ccc(cc1)N=C=S)CC
Isomeric Smiles
S(=O)(=O)(c1ccc(N=C=S)cc1)N(CC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7620695
LogD (pH = 7.4)
2.76207
Log P
2.76207
Molar Refractivity
74.5694
Polarizability
28.661093
Polar Surface Area
49.74
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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