Molecule

ID:52311

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃N₃S
Molecular Mass
147.24182
Exact Mass
147.08301843
Charge
0
InChI
InChI=1S/C5H13N3S/c1-5(2,3)7-4(9)8-6/h6H2,1-3H3,(H2,7,8,9)
InChIKey
ZUWRCNZOBNETMU-UHFFFAOYSA-N
Canonic Smiles
NNC(=S)NC(C)(C)C
Isomeric Smiles
NNC(=S)NC(C)(C)C
Calculated Properties
JChem
Acid pKa
13.836097
H Acceptors
1
H Donor
3
LogD (pH = 5.5)
0.49760795
LogD (pH = 7.4)
0.5070736
Log P
0.5071958
Molar Refractivity
44.3199
Polarizability
17.08055
Polar Surface Area
50.08
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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