Molecule

ID:27701

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₂S₂
Molecular Mass
256.34448
Exact Mass
256.03401963
Charge
0
InChI
InChI=1S/C10H12N2O2S2/c1-8(2)12-16(13,14)10-5-3-9(4-6-10)11-7-15/h3-6,8,12H,1-2H3
InChIKey
DXIADEYSDFNGJT-UHFFFAOYSA-N
Canonic Smiles
CC(NS(=O)(=O)c1ccc(cc1)N=C=S)C
Isomeric Smiles
S(=O)(=O)(NC(C)C)c1ccc(N=C=S)cc1
Calculated Properties
JChem
Acid pKa
10.038805
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5981493
LogD (pH = 7.4)
2.597278
Log P
2.5981607
Molar Refractivity
69.3429
Polarizability
26.822483
Polar Surface Area
58.53
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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