Molecule
ID:27718
General Information
Molecular Formula
C₅H₉N₃S
Molecular Mass
143.21006
Exact Mass
143.0517183
Charge
0
InChI
InChI=1S/C5H9N3S/c1-3-4-6-7-5(9)8(4)2/h3H2,1-2H3,(H,7,9)
InChIKey
FNWNVPUZNJSFKL-UHFFFAOYSA-N
Canonic Smiles
Cn1c(CC)nnc1S
Isomeric Smiles
n1(c(nnc1CC)S)C
Calculated Properties
JChem
Acid pKa
7.8193536
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7166108
LogD (pH = 7.4)
0.5850909
Log P
0.719058
Molar Refractivity
40.6764
Polarizability
14.709196
Polar Surface Area
30.71
Rotatable Bonds
1
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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