KOI

2-(3-chlorophenyl)-N-(pyridin-3-yl)acetamide

Created:	2023-08-14
Last modified:	2023-11-08

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1 entries where KOI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	12

2D diagram of KOI

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Chemical Component Summary
Name	2-(3-chlorophenyl)-N-(pyridin-3-yl)acetamide
Systematic Name (OpenEye OEToolkits)	2-(3-chlorophenyl)-~{N}-pyridin-3-yl-ethanamide
Formula	C₁₃ H₁₁ Cl N₂ O
Molecular Weight	246.692
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1cccnc1)Cc1cccc(Cl)c1
SMILES	CACTVS	3.385	Clc1cccc(CC(=O)Nc2cccnc2)c1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)Cl)CC(=O)Nc2cccnc2
Canonical SMILES	CACTVS	3.385	Clc1cccc(CC(=O)Nc2cccnc2)c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)Cl)CC(=O)Nc2cccnc2
InChI	InChI	1.06	InChI=1S/C13H11ClN2O/c14-11-4-1-3-10(7-11)8-13(17)16-12-5-2-6-15-9-12/h1-7,9H,8H2,(H,16,17)
InChIKey	InChI	1.06	JXVSAHMJMLDNGG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	95212045
ChEMBL	CHEMBL4745997

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