Molecule

ID:59130

General Information
Structure
MolImage
Molecular Formula
C₅H₉N₃OS
Molecular Mass
159.20946
Exact Mass
159.04663292
Charge
0
InChI
InChI=1S/C5H9N3OS/c1-3(9-2)4-7-8-5(6)10-4/h3H,1-2H3,(H2,6,8)
InChIKey
VZQPBOQSEQUOBJ-UHFFFAOYSA-N
Canonic Smiles
CC(c1nnc(s1)N)OC
Isomeric Smiles
s1c(nnc1N)C(OC)C
Calculated Properties
JChem
Acid pKa
14.084917
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.12132175
LogD (pH = 7.4)
0.12132327
Log P
0.121323384
Molar Refractivity
40.9509
Polarizability
14.696832
Polar Surface Area
61.03
Rotatable Bonds
2
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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