Molecule

ID:117348

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O₂S₂
Molecular Mass
230.3072
Exact Mass
230.01836957
Charge
0
InChI
InChI=1S/C8H10N2O2S2/c1-14(11,12)7-4-2-6(3-5-7)10-8(9)13/h2-5H,1H3,(H3,9,10,13)
InChIKey
GZVDZCUMARHBQV-UHFFFAOYSA-N
Canonic Smiles
NC(=S)Nc1ccc(cc1)S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(c1ccc(NC(=S)N)cc1)C
Calculated Properties
JChem
Acid pKa
9.443386
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.6075415
LogD (pH = 7.4)
0.60387206
Log P
0.60758877
Molar Refractivity
61.5922
Polarizability
23.85526
Polar Surface Area
72.19
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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