Molecule

ID:109415

General Information
Structure
MolImage
Molecular Formula
C₄H₂IN₂NaOS
Molecular Mass
276.03072
Exact Mass
275.88302598
Charge
0
InChI
InChI=1S/C4H3IN2OS.Na/c5-2-1-6-4(9)7-3(2)8;/h1H,(H2,6,7,8,9);/q;+1/p-1
InChIKey
IOCJWKUNNXDZIX-UHFFFAOYSA-M
Canonic Smiles
Sc1ncc(c(n1)[O-])I.[Na+]
Isomeric Smiles
[Na+].[O-]c1nc(S)ncc1I
Calculated Properties
JChem
Acid pKa
8.264577
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.040849
LogD (pH = 7.4)
1.9883192
Log P
2.0415654
Molar Refractivity
56.8853
Polarizability
17.401121
Polar Surface Area
48.84
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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