Molecule
ID:53810
General Information
Molecular Formula
C₅H₉N₃S
Molecular Mass
143.21006
Exact Mass
143.0517183
Charge
0
InChI
InChI=1S/C5H9N3S/c1-3(7)4(2-6)5(8)9/h3-4H,7H2,1H3,(H2,8,9)
InChIKey
REJBMKMSTYYIIN-UHFFFAOYSA-N
Canonic Smiles
N#CC(C(=S)N)C(N)C
Isomeric Smiles
NC(C(C(=S)N)C#N)C
Calculated Properties
JChem
Acid pKa
11.089134
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.068581
LogD (pH = 7.4)
-0.80220807
Log P
-0.6183331
Molar Refractivity
40.2057
Polarizability
15.878157
Polar Surface Area
75.83
Rotatable Bonds
2
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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