K0G

N-phenyl-N'-pyridin-3-ylurea

Created:	2018-10-25
Last modified:	2018-12-19

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11 entries where K0G 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 K0G

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Chemical Component Summary
Name	N-phenyl-N'-pyridin-3-ylurea
Systematic Name (OpenEye OEToolkits)	1-phenyl-3-pyridin-3-yl-urea
Formula	C₁₂ H₁₁ N₃ O
Molecular Weight	213.235
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N(c1cccnc1)C(Nc2ccccc2)=O
SMILES	CACTVS	3.385	O=C(Nc1ccccc1)Nc2cccnc2
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)NC(=O)Nc2cccnc2
Canonical SMILES	CACTVS	3.385	O=C(Nc1ccccc1)Nc2cccnc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)NC(=O)Nc2cccnc2
InChI	InChI	1.03	InChI=1S/C12H11N3O/c16-12(14-10-5-2-1-3-6-10)15-11-7-4-8-13-9-11/h1-9H,(H2,14,15,16)
InChIKey	InChI	1.03	WBKYYDBHEGTTON-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	674807
ChEMBL	CHEMBL1412642
CCDC/CSD	MEPXEK01, MEPXEK
COD	4504807

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