Molecule

ID:60649

General Information
Structure
MolImage
Molecular Formula
C₄H₂N₂S₃
Molecular Mass
174.26708
Exact Mass
173.93801107
Charge
0
InChI
InChI=1S/C4H2N2S3/c5-1-2-3(6)8-9-4(2)7/h6H2
InChIKey
IXPKEXWZTKXQBC-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(N)ssc1=S
Isomeric Smiles
c1(c(ssc1=S)N)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4570298
LogD (pH = 7.4)
1.4570298
Log P
1.4570298
Molar Refractivity
55.9942
Polarizability
17.755291
Polar Surface Area
49.81
Rotatable Bonds
0
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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