Molecule

ID:27360

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₂S
Molecular Mass
228.31124
Exact Mass
228.09324876
Charge
0
InChI
InChI=1S/C10H16N2O2S/c1-10(2,3)8-4-6-9(7-5-8)15(13,14)12-11/h4-7,12H,11H2,1-3H3
InChIKey
VFQNBUDJNQNYIB-UHFFFAOYSA-N
Canonic Smiles
NNS(=O)(=O)c1ccc(cc1)C(C)(C)C
Isomeric Smiles
S(=O)(=O)(NN)c1ccc(C(C)(C)C)cc1
Calculated Properties
JChem
Acid pKa
10.19136
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.8278658
LogD (pH = 7.4)
1.8327998
Log P
1.8278571
Molar Refractivity
61.3659
Polarizability
24.316805
Polar Surface Area
72.19
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
References
Bioactivity
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