QRN

5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol

Created:	2020-07-30
Last modified:	2020-12-23

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1 entries where QRN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	16

2D diagram of QRN

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Chemical Component Summary
Name	5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol
Systematic Name (OpenEye OEToolkits)	5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol
Formula	C₁₆ H₁₅ N O₂ S
Molecular Weight	285.361
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccc(CCc2sc3ccccc3n2)cc1O
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1O)CCc2nc3ccccc3s2
Canonical SMILES	CACTVS	3.385	COc1ccc(CCc2sc3ccccc3n2)cc1O
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1O)CCc2nc3ccccc3s2
InChI	InChI	1.03	InChI=1S/C16H15NO2S/c1-19-14-8-6-11(10-13(14)18)7-9-16-17-12-4-2-3-5-15(12)20-16/h2-6,8,10,18H,7,9H2,1H3
InChIKey	InChI	1.03	QNHPMOUOOZOFMX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155804507

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