Molecule

ID:74654

General Information
Structure
MolImage
Molecular Formula
C₃H₃N₃O₂S
Molecular Mass
145.13982
Exact Mass
144.99459735
Charge
0
InChI
InChI=1S/C3H3N3O2S/c4-3-5-1-2(9-3)6(7)8/h1H,(H2,4,5)
InChIKey
MIHADVKEHAFNPG-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cnc(s1)N
Isomeric Smiles
s1c(ncc1[N+](=O)[O-])N
Calculated Properties
JChem
Acid pKa
14.120166
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.5933413
LogD (pH = 7.4)
0.5933427
Log P
0.5933428
Molar Refractivity
30.9205
Polarizability
11.411084
Polar Surface Area
82.05
Rotatable Bonds
1
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
No Data Available
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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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