Molecule

ID:60440

General Information
Structure
MolImage
Molecular Formula
C₃H₄N₂O₂S
Molecular Mass
132.14106
Exact Mass
131.99934838
Charge
0
InChI
InChI=1S/C3H4N2O2S/c1-7-3-5-4-2(6)8-3/h1H3,(H,4,6)
InChIKey
LRENRSMVTOWJKZ-UHFFFAOYSA-N
Canonic Smiles
COc1nnc(s1)O
Isomeric Smiles
s1c(nnc1OC)O
Calculated Properties
JChem
Acid pKa
5.2730756
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.25951245
LogD (pH = 7.4)
-0.6118447
Log P
0.6555553
Molar Refractivity
28.7799
Polarizability
10.629684
Polar Surface Area
55.24
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
No Data Available
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Molecule Details
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References
Bioactivity
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