ICO

1H-INDOLE-3-CARBOXYLIC ACID

Created:	2005-11-15
Last modified:	2011-06-04

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4 entries where ICO 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 ICO

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Chemical Component Summary
Name	1H-INDOLE-3-CARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)	1H-indole-3-carboxylic acid
Formula	C₉ H₇ N O₂
Molecular Weight	161.157
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)c2c1ccccc1nc2
SMILES	CACTVS	3.341	OC(=O)c1c[nH]c2ccccc12
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)c(c[nH]2)C(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)c1c[nH]c2ccccc12
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)c(c[nH]2)C(=O)O
InChI	InChI	1.03	InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
InChIKey	InChI	1.03	KMAKOBLIOCQGJP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	69867
ChEMBL	CHEMBL387527
ChEBI	CHEBI:24809
CCDC/CSD	ENIVIG, ENIVIG01, ENIVIG02
COD	1555293, 2203004

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.