Molecule

ID:44183

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₃S₂
Molecular Mass
171.2433
Exact Mass
170.99248918
Charge
0
InChI
InChI=1S/C5H5N3S2/c1-2-3-9-5-8-7-4(6)10-5/h1H,3H2,(H2,6,7)
InChIKey
SJSZAQLZKIYESE-UHFFFAOYSA-N
Canonic Smiles
Nc1nnc(s1)SCC#C
Isomeric Smiles
s1c(nnc1N)SCC#C
Calculated Properties
JChem
Acid pKa
14.432519
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0403866
LogD (pH = 7.4)
1.0403881
Log P
1.0403882
Molar Refractivity
45.4245
Polarizability
15.950693
Polar Surface Area
51.8
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
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Molecule Details
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References
Bioactivity
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