Molecule

ID:29987

General Information
Structure
MolImage
Molecular Formula
C₆H₆N₂S₂
Molecular Mass
170.25524
Exact Mass
169.9972402
Charge
0
InChI
InChI=1S/C6H6N2S2/c1-9-6(10-2)5(3-7)4-8/h1-2H3
InChIKey
FICQFRCPSFCFBY-UHFFFAOYSA-N
Canonic Smiles
CSC(=C(C#N)C#N)SC
Isomeric Smiles
C(#N)C(=C(SC)SC)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0581377
LogD (pH = 7.4)
2.0581377
Log P
2.0581377
Molar Refractivity
56.1365
Polarizability
17.399513
Polar Surface Area
47.58
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
No Data Available
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Molecule Details
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References
Bioactivity
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