Molecule
ID:64123
General Information
Molecular Formula
C₅H₆N₂O₂S
Molecular Mass
158.17834
Exact Mass
158.01499844
Charge
0
InChI
InChI=1S/C5H6N2O2S/c1-9-4(8)3-2-10-5(6)7-3/h2H,1H3,(H2,6,7)
InChIKey
WYVZZWKIKAKUKV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1csc(n1)N
Isomeric Smiles
c1(nc(sc1)N)C(=O)OC
Calculated Properties
JChem
Acid pKa
16.047598
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.67643327
LogD (pH = 7.4)
0.6766867
Log P
0.6766899
Molar Refractivity
37.0934
Polarizability
13.829633
Polar Surface Area
65.21
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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