LDR

phenanthridin-6(5H)-one

Created:2011-06-14
Last modified:  2011-06-14

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Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count0
Bond Count26
Aromatic Bond Count12
2D diagram of LDR

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Chemical Component Summary

Namephenanthridin-6(5H)-one
Systematic Name (OpenEye OEToolkits)5H-phenanthridin-6-one
FormulaC13 H9 N O
Molecular Weight195.217
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2c3c(c1c(cccc1)N2)cccc3
SMILESCACTVS3.370O=C1Nc2ccccc2c3ccccc13
SMILESOpenEye OEToolkits1.7.2c1ccc2c(c1)-c3ccccc3NC2=O
Canonical SMILESCACTVS3.370 O=C1Nc2ccccc2c3ccccc13
Canonical SMILESOpenEye OEToolkits1.7.2 c1ccc2c(c1)-c3ccccc3NC2=O
InChIInChI1.03 InChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)
InChIKeyInChI1.03 RZFVLEJOHSLEFR-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL45245
PubChem 1853
ChEMBL CHEMBL45245
ChEBI CHEBI:75292