TQL

4-[(E)-N-oxidanyl-C-pyridin-3-yl-carbonimidoyl]benzene-1,3-diol

Created:	2015-11-13
Last modified:	2016-11-23

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1 entries where TQL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	12

2D diagram of TQL

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Chemical Component Summary
Name	4-[(E)-N-oxidanyl-C-pyridin-3-yl-carbonimidoyl]benzene-1,3-diol
Systematic Name (OpenEye OEToolkits)	4-[(E)-N-oxidanyl-C-pyridin-3-yl-carbonimidoyl]benzene-1,3-diol
Formula	C₁₂ H₁₀ N₂ O₃
Molecular Weight	230.219
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	ON=C(c1cccnc1)c2ccc(O)cc2O
SMILES	OpenEye OEToolkits	1.7.6	c1cc(cnc1)C(=NO)c2ccc(cc2O)O
Canonical SMILES	CACTVS	3.385	O\N=C(/c1cccnc1)c2ccc(O)cc2O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(cnc1)/C(=N\O)/c2ccc(cc2O)O
InChI	InChI	1.03	InChI=1S/C12H10N2O3/c15-9-3-4-10(11(16)6-9)12(14-17)8-2-1-5-13-7-8/h1-7,15-17H/b14-12+
InChIKey	InChI	1.03	HZURBZXRYDMRDT-WYMLVPIESA-N

Related Resource References

Resource Name	Reference
PubChem	135567123

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.