Molecule

ID:57906

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₃S
Molecular Mass
244.31064
Exact Mass
244.08816338
Charge
0
InChI
InChI=1S/C10H16N2O3S/c1-15-8-2-7-12-16(13,14)10-5-3-9(11)4-6-10/h3-6,12H,2,7-8,11H2,1H3
InChIKey
AVBIDYMRZQDJGP-UHFFFAOYSA-N
Canonic Smiles
COCCCNS(=O)(=O)c1ccc(cc1)N
Isomeric Smiles
S(=O)(=O)(c1ccc(N)cc1)NCCCOC
Calculated Properties
JChem
Acid pKa
10.9376
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.013280213
LogD (pH = 7.4)
-0.013104287
Log P
-0.012989072
Molar Refractivity
63.7219
Polarizability
24.83455
Polar Surface Area
81.42
Rotatable Bonds
5
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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