Molecule
ID:53818
General Information
Molecular Formula
C₅H₅N₃S
Molecular Mass
139.1783
Exact Mass
139.02041818
Charge
0
InChI
InChI=1S/C5H5N3S/c1-3-4(2-6)5(7)9-8-3/h7H2,1H3
InChIKey
PJQFZPWSFDVYIF-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(N)snc1C
Isomeric Smiles
c1(C#N)c(C)nsc1N
Calculated Properties
JChem
Acid pKa
16.56277
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.2588972
LogD (pH = 7.4)
0.2672876
Log P
0.26739565
Molar Refractivity
36.1724
Polarizability
12.905593
Polar Surface Area
62.7
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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