Molecule

ID:66348

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(12(9,10)11)2-3-7(5)8/h2-4H,8H2,1H3,(H2,9,10,11)
InChIKey
IGQGXIVCGKMRAM-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1C)S(=O)(=O)N
Isomeric Smiles
c1(cc(c(cc1)N)C)S(=O)(=O)N
Calculated Properties
JChem
Acid pKa
11.028904
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.26356372
LogD (pH = 7.4)
0.263679
Log P
0.263772
Molar Refractivity
47.9575
Polarizability
18.538258
Polar Surface Area
86.18
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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