Molecule

ID:105512

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₂S₂
Molecular Mass
260.37624
Exact Mass
260.06531976
Charge
0
InChI
InChI=1S/C10H16N2O2S2/c1-3-9(13)11-5-7-15-16-8-6-12-10(14)4-2/h3-4H,1-2,5-8H2,(H,11,13)(H,12,14)
InChIKey
DJVKJGIZQFBFGS-UHFFFAOYSA-N
Canonic Smiles
C=CC(=O)NCCSSCCNC(=O)C=C
Isomeric Smiles
C=CC(=O)NCCSSCCNC(=O)C=C
Calculated Properties
JChem
Acid pKa
15.30914
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.39751455
LogD (pH = 7.4)
0.39751583
Log P
0.39751586
Molar Refractivity
71.395
Polarizability
27.262354
Polar Surface Area
58.2
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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