Molecule

ID:28671

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂S
Molecular Mass
186.2315
Exact Mass
186.04629857
Charge
0
InChI
InChI=1S/C7H10N2O2S/c1-5-4-6(2)9-7(8-5)12(3,10)11/h4H,1-3H3
InChIKey
ZHPSNGCLCHWTRG-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)nc(n1)S(=O)(=O)C
Isomeric Smiles
c1(nc(cc(n1)C)C)S(=O)(=O)C
Calculated Properties
JChem
Acid pKa
19.07298
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.16842964
LogD (pH = 7.4)
-0.16842964
Log P
-0.16842964
Molar Refractivity
45.8549
Polarizability
18.12116
Polar Surface Area
59.92
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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