Molecule

ID:27372

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₂S
Molecular Mass
228.31124
Exact Mass
228.09324876
Charge
0
InChI
InChI=1S/C10H16N2O2S/c1-6-5-7(2)9(4)10(8(6)3)15(13,14)12-11/h5,12H,11H2,1-4H3
InChIKey
GFXMTBMOSXPILB-UHFFFAOYSA-N
Canonic Smiles
NNS(=O)(=O)c1c(C)c(C)cc(c1C)C
Isomeric Smiles
S(=O)(=O)(c1c(c(cc(c1C)C)C)C)NN
Calculated Properties
JChem
Acid pKa
10.496409
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.3364606
LogD (pH = 7.4)
2.3389437
Log P
2.3364863
Molar Refractivity
62.8648
Polarizability
24.09452
Polar Surface Area
72.19
Rotatable Bonds
1
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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