9FF

1H-indole-2-carbaldehyde

Created:	2022-03-11
Last modified:	2022-07-06

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1 entries where 9FF 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	10

2D diagram of 9FF

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Chemical Component Summary
Name	1H-indole-2-carbaldehyde
Systematic Name (OpenEye OEToolkits)	1~{H}-indole-2-carbaldehyde
Formula	C₉ H₇ N O
Molecular Weight	145.158
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=Cc1[nH]c2ccccc2c1
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)cc([nH]2)C=O
Canonical SMILES	CACTVS	3.385	O=Cc1[nH]c2ccccc2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)cc([nH]2)C=O
InChI	InChI	1.03	InChI=1S/C9H7NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-6,10H
InChIKey	InChI	1.03	SBNOTUDDIXOFSN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	96389
ChEMBL	CHEMBL223708

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.