4ZV

1H-indole-5-carboxylic acid

Created:	2015-07-02
Last modified:	2016-08-10

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2 entries where 4ZV 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	10

2D diagram of 4ZV

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Chemical Component Summary
Name	1H-indole-5-carboxylic acid
Systematic Name (OpenEye OEToolkits)	1H-indole-5-carboxylic acid
Formula	C₉ H₇ N O₂
Molecular Weight	161.157
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)c1ccc2[nH]ccc2c1
SMILES	OpenEye OEToolkits	1.9.2	c1cc2c(cc[nH]2)cc1C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)c1ccc2[nH]ccc2c1
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc2c(cc[nH]2)cc1C(=O)O
InChI	InChI	1.03	InChI=1S/C9H7NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,(H,11,12)
InChIKey	InChI	1.03	IENZCGNHSIMFJE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	74280
ChEMBL	CHEMBL2018158
ChEBI	CHEBI:131778
CCDC/CSD	QIZLET

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.