Molecule

ID:41322

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₂OS
Molecular Mass
144.19482
Exact Mass
144.03573389
Charge
0
InChI
InChI=1S/C5H8N2OS/c1-7-4(3-8)2-6-5(7)9/h2,8H,3H2,1H3,(H,6,9)
InChIKey
GXYFRGKYSBWAEO-UHFFFAOYSA-N
Canonic Smiles
Cn1c(CO)cnc1S
Isomeric Smiles
c1(n(c(cn1)CO)C)S
Calculated Properties
JChem
Acid pKa
7.8307037
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.09206315
LogD (pH = 7.4)
-0.124034524
Log P
0.0085603995
Molar Refractivity
38.086
Polarizability
14.44599
Polar Surface Area
38.05
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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