1VK

(4-azanyl-1,2,5-oxadiazol-3-yl)-phenyl-methanone

Created:	2014-02-21
Last modified:	2014-09-05

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1 entries where 1VK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	11

2D diagram of 1VK

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Chemical Component Summary
Name	(4-azanyl-1,2,5-oxadiazol-3-yl)-phenyl-methanone
Systematic Name (OpenEye OEToolkits)	(4-azanyl-1,2,5-oxadiazol-3-yl)-phenyl-methanone
Formula	C₉ H₇ N₃ O₂
Molecular Weight	189.171
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1ccccc1)c2nonc2N
SMILES	CACTVS	3.385	Nc1nonc1C(=O)c2ccccc2
SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)C(=O)c2c(non2)N
Canonical SMILES	CACTVS	3.385	Nc1nonc1C(=O)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)C(=O)c2c(non2)N
InChI	InChI	1.03	InChI=1S/C9H7N3O2/c10-9-7(11-14-12-9)8(13)6-4-2-1-3-5-6/h1-5H,(H2,10,12)
InChIKey	InChI	1.03	FSUWRFXTSWSYPV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	142331

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