Molecule

ID:117527

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₂OS
Molecular Mass
144.19482
Exact Mass
144.03573389
Charge
0
InChI
InChI=1S/C5H8N2OS/c1-8-2-4-3-9-5(6)7-4/h3H,2H2,1H3,(H2,6,7)
InChIKey
YLYDMVVGZJUBDE-UHFFFAOYSA-N
Canonic Smiles
COCc1csc(n1)N
Isomeric Smiles
n1c(scc1COC)N
Calculated Properties
JChem
Acid pKa
16.623178
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.42702714
LogD (pH = 7.4)
0.44438514
Log P
0.44461128
Molar Refractivity
36.485
Polarizability
13.671778
Polar Surface Area
48.14
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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