Molecule

ID:12709

General Information
Structure
MolImage
Molecular Formula
C₃H₃N₃O₂S
Molecular Mass
145.13982
Exact Mass
144.99459735
Charge
0
InChI
InChI=1S/C3H3N3O2S/c4-2-1(3(7)8)5-9-6-2/h(H2,4,6)(H,7,8)
InChIKey
OJMKAQZLZNNVTG-UHFFFAOYSA-N
Canonic Smiles
Nc1nsnc1C(=O)O
Isomeric Smiles
c1(c(nsn1)C(=O)O)N
Calculated Properties
JChem
Acid pKa
3.4032853
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.2709024
LogD (pH = 7.4)
-2.587719
Log P
0.8146623
Molar Refractivity
32.7323
Polarizability
11.061017
Polar Surface Area
89.1
Rotatable Bonds
1
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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