Molecule

ID:27359

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₂S
Molecular Mass
228.31124
Exact Mass
228.09324876
Charge
0
InChI
InChI=1S/C10H16N2O2S/c1-2-3-4-9-5-7-10(8-6-9)15(13,14)12-11/h5-8,12H,2-4,11H2,1H3
InChIKey
ZQWNHBPMUKEOFM-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(cc1)S(=O)(=O)NN
Isomeric Smiles
S(=O)(=O)(NN)c1ccc(cc1)CCCC
Calculated Properties
JChem
Acid pKa
10.22156
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.1299324
LogD (pH = 7.4)
2.134541
Log P
2.1299284
Molar Refractivity
61.5442
Polarizability
24.318226
Polar Surface Area
72.19
Rotatable Bonds
4
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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