Molecule

ID:78224

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₃S
Molecular Mass
242.29476
Exact Mass
242.07251332
Charge
0
InChI
InChI=1S/C10H14N2O3S/c1-15-10-5-4-8(6-9(10)11)16(13,14)12-7-2-3-7/h4-7,12H,2-3,11H2,1H3
InChIKey
DQJXGGZGZBZOPO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1N)S(=O)(=O)NC1CC1
Isomeric Smiles
O(c1c(cc(cc1)S(=O)(=O)NC1CC1)N)C
Calculated Properties
JChem
Acid pKa
10.508054
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.28157407
LogD (pH = 7.4)
0.28161576
Log P
0.28191996
Molar Refractivity
61.4874
Polarizability
24.105585
Polar Surface Area
81.42
Rotatable Bonds
3
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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