T4C

4-(4-chlorophenyl)-1~{H}-indole-6-carboxylic acid

Created:	2022-12-20
Last modified:	2024-01-10

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1 entries where T4C is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	16

2D diagram of T4C

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Chemical Component Summary
Name	4-(4-chlorophenyl)-1~{H}-indole-6-carboxylic acid
Systematic Name (OpenEye OEToolkits)	4-(4-chlorophenyl)-1~{H}-indole-6-carboxylic acid
Formula	C₁₅ H₁₀ Cl N O₂
Molecular Weight	271.698
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)c1cc2[nH]ccc2c(c1)c3ccc(Cl)cc3
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2cc(cc3c2cc[nH]3)C(=O)O)Cl
Canonical SMILES	CACTVS	3.385	OC(=O)c1cc2[nH]ccc2c(c1)c3ccc(Cl)cc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2cc(cc3c2cc[nH]3)C(=O)O)Cl
InChI	InChI	1.06	InChI=1S/C15H10ClNO2/c16-11-3-1-9(2-4-11)13-7-10(15(18)19)8-14-12(13)5-6-17-14/h1-8,17H,(H,18,19)
InChIKey	InChI	1.06	QSVCYCVGLSKBCQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	169501676

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.