3J8

5-methylphenazin-1(5H)-one

Created:	2009-09-25
Last modified:	2020-06-05

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1 entries where 3J8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	6

2D diagram of 3J8

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Chemical Component Summary
Name	5-methylphenazin-1(5H)-one
Synonyms	Pyocyanin; Pyrocyanine; Sanasin; Sanazin
Systematic Name (OpenEye OEToolkits)	5-methylphenazin-1-one
Formula	C₁₃ H₁₀ N₂ O
Molecular Weight	210.231
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C3C2=Nc1c(cccc1)N(C2=CC=C3)C
SMILES	CACTVS	3.370	CN1c2ccccc2N=C3C(=O)C=CC=C13
SMILES	OpenEye OEToolkits	1.7.2	CN1c2ccccc2N=C3C1=CC=CC3=O
Canonical SMILES	CACTVS	3.370	CN1c2ccccc2N=C3C(=O)C=CC=C13
Canonical SMILES	OpenEye OEToolkits	1.7.2	CN1c2ccccc2N=C3C1=CC=CC3=O
InChI	InChI	1.03	InChI=1S/C13H10N2O/c1-15-10-6-3-2-5-9(10)14-13-11(15)7-4-8-12(13)16/h2-8H,1H3
InChIKey	InChI	1.03	YNCMLFHHXWETLD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	6817
ChEMBL	CHEMBL2289232
CCDC/CSD	CEWGUH

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