Molecule

ID:52146

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃N₃OS
Molecular Mass
163.24122
Exact Mass
163.07793305
Charge
0
InChI
InChI=1S/C5H13N3OS/c1-9-4-2-3-7-5(10)8-6/h2-4,6H2,1H3,(H2,7,8,10)
InChIKey
FNQQONLDFCKUTC-UHFFFAOYSA-N
Canonic Smiles
COCCCNC(=S)NN
Isomeric Smiles
NNC(=S)NCCCOC
Calculated Properties
JChem
Acid pKa
14.005385
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
-0.54338884
LogD (pH = 7.4)
-0.5339021
Log P
-0.5337797
Molar Refractivity
46.4232
Polarizability
17.770803
Polar Surface Area
59.31
Rotatable Bonds
4
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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