B1A

~{N}-(4-phenylazanylphenyl)ethanamide

Created:	2017-07-28
Last modified:	2018-08-08

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3 entries where B1A is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	12

2D diagram of B1A

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Chemical Component Summary
Name	~{N}-(4-phenylazanylphenyl)ethanamide
Systematic Name (OpenEye OEToolkits)	~{N}-(4-phenylazanylphenyl)ethanamide
Formula	C₁₄ H₁₄ N₂ O
Molecular Weight	226.274
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)Nc1ccc(Nc2ccccc2)cc1
SMILES	OpenEye OEToolkits	2.0.6	CC(=O)Nc1ccc(cc1)Nc2ccccc2
Canonical SMILES	CACTVS	3.385	CC(=O)Nc1ccc(Nc2ccccc2)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(=O)Nc1ccc(cc1)Nc2ccccc2
InChI	InChI	1.03	InChI=1S/C14H14N2O/c1-11(17)15-13-7-9-14(10-8-13)16-12-5-3-2-4-6-12/h2-10,16H,1H3,(H,15,17)
InChIKey	InChI	1.03	QAIADKFUCPEVKW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	789635
ChEMBL	CHEMBL1543600

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