Molecule

ID:63382

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂S
Molecular Mass
186.2315
Exact Mass
186.04629857
Charge
0
InChI
InChI=1S/C7H10N2O2S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)
InChIKey
KTPBKMYOIFHJMI-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)S(=O)(=O)N)C
Isomeric Smiles
S(=O)(=O)(c1cc(N)ccc1C)N
Calculated Properties
JChem
Acid pKa
10.47999
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.26267943
LogD (pH = 7.4)
0.2634384
Log P
0.263772
Molar Refractivity
47.9575
Polarizability
18.539595
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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