Molecule

ID:83529

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O₃S
Molecular Mass
214.2416
Exact Mass
214.04121319
Charge
0
InChI
InChI=1S/C8H10N2O3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)(H2,9,12,13)
InChIKey
PKOFBDHYTMYVGJ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(cc1)S(=O)(=O)N
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)NC(=O)C)N
Calculated Properties
JChem
Acid pKa
10.275564
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.1830195
LogD (pH = 7.4)
-0.18352512
Log P
-0.18301305
Molar Refractivity
53.0789
Polarizability
20.55176
Polar Surface Area
89.26
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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