Molecule

ID:51966

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈N₂O₂S₂
Molecular Mass
288.34482
Exact Mass
288.00271951
Charge
0
InChI
InChI=1S/C13H8N2O2S2/c16-15(17)11-3-7-13(8-4-11)19-12-5-1-10(2-6-12)14-9-18/h1-8H
InChIKey
XQXCSNLNVVAJRO-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
S(c1ccc(cc1)N=C=S)c1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
Rotatable Bonds
4
Lipinski's Rule of Five
false
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.1238036
LogD (pH = 7.4)
5.1238046
Log P
5.1238046
Molar Refractivity
83.1297
Polarizability
30.505346
Polar Surface Area
58.18
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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