Molecule
ID:85444
General Information
Molecular Formula
C₅H₁₃N₃S
Molecular Mass
147.24182
Exact Mass
147.08301843
Charge
0
InChI
InChI=1S/C5H13N3S/c1-6-5(9)4-7-8(2)3/h7H,4H2,1-3H3,(H,6,9)
InChIKey
ZPNDWXKRZGSJPW-UHFFFAOYSA-N
Canonic Smiles
CNC(=S)CNN(C)C
Isomeric Smiles
N(CC(=S)NC)N(C)C
Calculated Properties
JChem
Acid pKa
11.448076
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.6257087
LogD (pH = 7.4)
-0.89005136
Log P
-0.8597578
Molar Refractivity
54.2994
Polarizability
17.372726
Polar Surface Area
27.3
Rotatable Bonds
3
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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