2J1

6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid

Created:	2013-10-24
Last modified:	2013-11-06

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1 entries where 2J1 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	10

2D diagram of 2J1

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Chemical Component Summary
Name	6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid
Systematic Name (OpenEye OEToolkits)	3-chloranyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid
Formula	C₁₃ H₁₂ Cl N O₂
Molecular Weight	249.693
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c1c(Cl)cc2c(c1)nc3c2CCCC3
SMILES	CACTVS	3.385	OC(=O)c1cc2[nH]c3CCCCc3c2cc1Cl
SMILES	OpenEye OEToolkits	1.7.6	c1c2c(cc(c1Cl)C(=O)O)[nH]c3c2CCCC3
Canonical SMILES	CACTVS	3.385	OC(=O)c1cc2[nH]c3CCCCc3c2cc1Cl
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1c2c(cc(c1Cl)C(=O)O)[nH]c3c2CCCC3
InChI	InChI	1.03	InChI=1S/C13H12ClNO2/c14-10-5-8-7-3-1-2-4-11(7)15-12(8)6-9(10)13(16)17/h5-6,15H,1-4H2,(H,16,17)
InChIKey	InChI	1.03	QPXAEUZWZDSOOF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1088982
ChEMBL	CHEMBL1466999

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