Molecule

ID:17508

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)12-15(13,14)9-6-4-5-8(11)7-9/h4-7,12H,11H2,1-3H3
InChIKey
KLQVFEHOLLUULE-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
Isomeric Smiles
c1(S(=O)(=O)NC(C)(C)C)cc(ccc1)N
Calculated Properties
JChem
Acid pKa
10.241899
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.027617
LogD (pH = 7.4)
1.0274285
Log P
1.0279863
Molar Refractivity
61.6186
Polarizability
24.115189
Polar Surface Area
72.19
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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