Molecule

ID:58915

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂S
Molecular Mass
186.2315
Exact Mass
186.04629857
Charge
0
InChI
InChI=1S/C7H10N2O2S/c1-12(10,11)9-7-4-2-3-6(8)5-7/h2-5,9H,8H2,1H3
InChIKey
UQRRCQRFQGOHAI-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)NS(=O)(=O)C
Isomeric Smiles
c1(cccc(c1)N)NS(=O)(=O)C
Calculated Properties
JChem
Acid pKa
10.093601
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.50581425
LogD (pH = 7.4)
-0.48362347
Log P
-0.48254097
Molar Refractivity
47.4416
Polarizability
18.643757
Polar Surface Area
72.19
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
No Data Available
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Molecule Details
References
Bioactivity
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