98Z

1~{H}-indole-3-carbonitrile

Created:	2017-04-28
Last modified:	2021-06-30

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1 entries where 98Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	10

2D diagram of 98Z

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Chemical Component Summary
Name	1~{H}-indole-3-carbonitrile
Systematic Name (OpenEye OEToolkits)	1~{H}-indole-3-carbonitrile
Formula	C₉ H₆ N₂
Molecular Weight	142.157
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N#Cc1c[nH]c2ccccc12
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)c(c[nH]2)C#N
Canonical SMILES	CACTVS	3.385	N#Cc1c[nH]c2ccccc12
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)c(c[nH]2)C#N
InChI	InChI	1.03	InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H
InChIKey	InChI	1.03	CHIFTAQVXHNVRW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	230282
ChEMBL	CHEMBL46724

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.