4JQ

6-amino-2H-chromen-2-one

Created:	2015-03-23
Last modified:	2015-08-12

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2 entries where 4JQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

2D diagram of 4JQ

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Chemical Component Summary
Name	6-amino-2H-chromen-2-one
Systematic Name (OpenEye OEToolkits)	6-azanylchromen-2-one
Formula	C₉ H₇ N O₂
Molecular Weight	161.157
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(cc2c(c1)OC(C=C2)=O)N
SMILES	CACTVS	3.385	Nc1ccc2OC(=O)C=Cc2c1
SMILES	OpenEye OEToolkits	1.9.2	c1cc2c(cc1N)C=CC(=O)O2
Canonical SMILES	CACTVS	3.385	Nc1ccc2OC(=O)C=Cc2c1
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc2c(cc1N)C=CC(=O)O2
InChI	InChI	1.03	InChI=1S/C9H7NO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,10H2
InChIKey	InChI	1.03	ZOJAINJCZSVZGW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	46153
ChEMBL	CHEMBL1829962
CCDC/CSD	BEZZAJ

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