Molecule

ID:52059

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃N₃S
Molecular Mass
147.24182
Exact Mass
147.08301843
Charge
0
InChI
InChI=1S/C5H13N3S/c1-2-3-4-7-5(9)8-6/h2-4,6H2,1H3,(H2,7,8,9)
InChIKey
KNGDMOLRXYKGAD-UHFFFAOYSA-N
Canonic Smiles
CCCCNC(=S)NN
Isomeric Smiles
NNC(=S)NCCCC
Calculated Properties
JChem
Acid pKa
14.007453
H Acceptors
1
H Donor
3
LogD (pH = 5.5)
0.7675258
LogD (pH = 7.4)
0.7770127
Log P
0.77713513
Molar Refractivity
44.3879
Polarizability
17.080416
Polar Surface Area
50.08
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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