Molecule

ID:78710

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀N₂O₂S₂
Molecular Mass
360.4936
Exact Mass
360.09661989
Charge
0
InChI
InChI=1S/C18H20N2O2S2/c1-13-3-7-15(8-4-13)19-17(21)11-23-24-12-18(22)20-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKey
QAXGXJHODVFUKR-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)C)CSSCC(=O)Nc1ccc(cc1)C
Isomeric Smiles
N(c1ccc(cc1)C)C(=O)CSSCC(=O)Nc1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
13.6827135
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.0467234
LogD (pH = 7.4)
4.0467234
Log P
4.0467234
Molar Refractivity
105.7866
Polarizability
39.381622
Polar Surface Area
58.2
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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