Molecule

ID:13996

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂S₂
Molecular Mass
196.29252
Exact Mass
196.01289027
Charge
0
InChI
InChI=1S/C8H8N2S2/c1-11-8-10-6-3-2-5(9)4-7(6)12-8/h2-4H,9H2,1H3
InChIKey
GYCJZSAIEMSFAV-UHFFFAOYSA-N
Canonic Smiles
CSc1nc2c(s1)cc(cc2)N
Isomeric Smiles
c12c(sc(n1)SC)cc(cc2)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5958214
LogD (pH = 7.4)
2.596998
Log P
2.597013
Molar Refractivity
54.0613
Polarizability
21.662777
Polar Surface Area
38.91
Rotatable Bonds
1
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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