AJV

7-fluoro-3-(hydroxyamino)-2H-indol-2-one

Created:	2017-07-19
Last modified:	2017-12-20

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1 entries where AJV 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	0

2D diagram of AJV

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Chemical Component Summary
Name	7-fluoro-3-(hydroxyamino)-2H-indol-2-one
Systematic Name (OpenEye OEToolkits)	7-fluoranyl-3-(oxidanylamino)indol-2-one
Formula	C₈ H₅ F N₂ O₂
Molecular Weight	180.136
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C=21C=CC=C(C1=NC(C=2NO)=O)F
SMILES	CACTVS	3.385	ONC1=C2C=CC=C(F)C2=NC1=O
SMILES	OpenEye OEToolkits	2.0.6	C1=CC2=C(C(=O)N=C2C(=C1)F)NO
Canonical SMILES	CACTVS	3.385	ONC1=C2C=CC=C(F)C2=NC1=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	C1=CC2=C(C(=O)N=C2C(=C1)F)NO
InChI	InChI	1.03	InChI=1S/C8H5FN2O2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11-13/h1-3,13H,(H,10,11,12)
InChIKey	InChI	1.03	NTVMSTRPGVBVRX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5573421, 5400707, 5573420

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.