SQP

2-(4-aminophenyl)benzoic acid

Created:	2020-03-11
Last modified:	2020-07-22

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1 entries where SQP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	12

2D diagram of SQP

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Chemical Component Summary
Name	2-(4-aminophenyl)benzoic acid
Systematic Name (OpenEye OEToolkits)	2-(4-aminophenyl)benzoic acid
Formula	C₁₃ H₁₁ N O₂
Molecular Weight	213.232
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1ccc(cc1)c2ccccc2C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(c(c1)c2ccc(cc2)N)C(=O)O
Canonical SMILES	CACTVS	3.385	Nc1ccc(cc1)c2ccccc2C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(c(c1)c2ccc(cc2)N)C(=O)O
InChI	InChI	1.03	InChI=1S/C13H11NO2/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(15)16/h1-8H,14H2,(H,15,16)
InChIKey	InChI	1.03	DHTPJFVSTBGVFV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	611615

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.