KUF

7-METHYL-2H-ISOQUINOLIN-1-ONE

Created:	2015-03-08
Last modified:	2015-05-13

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1 entries where KUF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	6

2D diagram of KUF

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Chemical Component Summary
Name	7-METHYL-2H-ISOQUINOLIN-1-ONE
Systematic Name (OpenEye OEToolkits)	7-methyl-2H-isoquinolin-1-one
Formula	C₁₀ H₉ N O
Molecular Weight	159.185
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccc2C=CNC(=O)c2c1
SMILES	OpenEye OEToolkits	1.7.6	Cc1ccc2c(c1)C(=O)NC=C2
Canonical SMILES	CACTVS	3.385	Cc1ccc2C=CNC(=O)c2c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1ccc2c(c1)C(=O)NC=C2
InChI	InChI	1.03	InChI=1S/C10H9NO/c1-7-2-3-8-4-5-11-10(12)9(8)6-7/h2-6H,1H3,(H,11,12)
InChIKey	InChI	1.03	ZLTCEYHTNOZGIS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	15693876

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