Molecule
ID:121486
General Information
Molecular Formula
C₁₄H₄N₂O₂S₂
Molecular Mass
296.32376
Exact Mass
295.97141938
Charge
0
InChI
InChI=1S/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H
InChIKey
PYZSVQVRHDXQSL-UHFFFAOYSA-N
Canonic Smiles
N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1
Isomeric Smiles
c12=c(sc(c(s1)C#N)C#N)c(=O)c1c(c2=O)cccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.0702724
LogD (pH = 7.4)
2.0702724
Log P
2.0702724
Molar Refractivity
81.947
Polarizability
29.141129
Polar Surface Area
81.72
Rotatable Bonds
0
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
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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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