Molecule

ID:85630

General Information
Structure
MolImage
Molecular Formula
C₅H₄NNaOS
Molecular Mass
149.14613
Exact Mass
148.99112903
Charge
0
InChI
InChI=1S/C5H5NOS.Na/c7-6-4-2-1-3-5(6)8;/h1-4,8H;/q;+1/p-1
InChIKey
WNGMMIYXPIAYOB-UHFFFAOYSA-M
Canonic Smiles
[S-]c1cccc[n+]1[O-].[Na+]
Isomeric Smiles
[n+]1(ccccc1[S-])[O-].[Na+]
Calculated Properties
JChem
Acid pKa
6.8428946
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.17694847
LogD (pH = 7.4)
-0.4128268
Log P
0.19550161
Molar Refractivity
31.6388
Polarizability
13.255843
Polar Surface Area
26.94
Rotatable Bonds
0
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
References
Bioactivity
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