Molecule

ID:27682

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂O₂S₂
Molecular Mass
242.3179
Exact Mass
242.01836957
Charge
0
InChI
InChI=1S/C9H10N2O2S2/c1-11(2)15(12,13)9-5-3-8(4-6-9)10-7-14/h3-6H,1-2H3
InChIKey
ZAIFZABYMYTEAX-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)S(=O)(=O)N(C)C
Isomeric Smiles
S(=O)(=O)(c1ccc(N=C=S)cc1)N(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0484533
LogD (pH = 7.4)
2.048454
Log P
2.048454
Molar Refractivity
65.0722
Polarizability
24.984652
Polar Surface Area
49.74
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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