Molecule
ID:123278
General Information
Molecular Formula
C₃H₅N₃S
Molecular Mass
115.1569
Exact Mass
115.02041818
Charge
0
InChI
InChI=1S/C3H5N3S/c1-5-3(7)6-2-4/h1H3,(H2,5,6,7)
InChIKey
QIIQPLHVXQXRGY-UHFFFAOYSA-N
Canonic Smiles
CNC(=S)NC#N
Isomeric Smiles
C(#N)NC(=S)NC
Calculated Properties
JChem
Acid pKa
-3.6645465
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-0.9886995
LogD (pH = 7.4)
-0.989056
Log P
-0.04609565
Molar Refractivity
31.8858
Polarizability
11.816149
Polar Surface Area
47.85
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
No Data Available
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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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