BFH

1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid

Created:	2010-05-26
Last modified:	2011-06-04

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2 entries where BFH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	15

2D diagram of BFH

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Chemical Component Summary
Name	1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)	1-(carboxymethyl)benzo[g]indole-2-carboxylic acid
Formula	C₁₅ H₁₁ N O₄
Molecular Weight	269.252
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c3cc2c(c1ccccc1cc2)n3CC(=O)O
SMILES	CACTVS	3.370	OC(=O)Cn1c(cc2ccc3ccccc3c12)C(O)=O
SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)ccc3c2n(c(c3)C(=O)O)CC(=O)O
Canonical SMILES	CACTVS	3.370	OC(=O)Cn1c(cc2ccc3ccccc3c12)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)ccc3c2n(c(c3)C(=O)O)CC(=O)O
InChI	InChI	1.03	InChI=1S/C15H11NO4/c17-13(18)8-16-12(15(19)20)7-10-6-5-9-3-1-2-4-11(9)14(10)16/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKey	InChI	1.03	AKGLRHRNGGDMDM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1231307
PubChem	46398840
ChEMBL	CHEMBL1231307

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