Molecule

ID:27681

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₃S₂
Molecular Mass
284.35458
Exact Mass
284.02893425
Charge
0
InChI
InChI=1S/C11H12N2O3S2/c14-18(15,13-5-7-16-8-6-13)11-3-1-10(2-4-11)12-9-17/h1-4H,5-8H2
InChIKey
UXOOJOCKROBTEH-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
Isomeric Smiles
S(=O)(=O)(N1CCOCC1)c1ccc(N=C=S)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.829953
LogD (pH = 7.4)
1.8299534
Log P
1.8299536
Molar Refractivity
74.1467
Polarizability
28.652391
Polar Surface Area
58.97
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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