Molecule
ID:52134
General Information
Molecular Formula
C₄H₁₁N₃S
Molecular Mass
133.21524
Exact Mass
133.06736837
Charge
0
InChI
InChI=1S/C4H11N3S/c1-3(2)6-4(8)7-5/h3H,5H2,1-2H3,(H2,6,7,8)
InChIKey
WMFXGKCDSJXKHO-UHFFFAOYSA-N
Canonic Smiles
NNC(=S)NC(C)C
Isomeric Smiles
NNC(=S)NC(C)C
Calculated Properties
JChem
Acid pKa
13.922481
H Acceptors
1
H Donor
3
LogD (pH = 5.5)
0.21702091
LogD (pH = 7.4)
0.22649677
Log P
0.22661908
Molar Refractivity
39.6817
Polarizability
15.236462
Polar Surface Area
50.08
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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