ES1

quinolin-4-ol

Created:	2009-12-02
Last modified:	2011-06-04

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4 entries where ES1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	11

2D diagram of ES1

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Chemical Component Summary
Name	quinolin-4-ol
Systematic Name (OpenEye OEToolkits)	quinolin-4-ol
Formula	C₉ H₇ N O
Molecular Weight	145.158
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	Oc1ccnc2ccccc12
SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)c(ccn2)O
Canonical SMILES	CACTVS	3.352	Oc1ccnc2ccccc12
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)c(ccn2)O
InChI	InChI	1.03	InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)
InChIKey	InChI	1.03	PMZDQRJGMBOQBF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5280925, 69141
ChEMBL	CHEMBL1232567
ChEBI	CHEBI:15815
CCDC/CSD	NICJOZ, COWTAK, WOVZOZ

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.