114105

Source:http://linkedlifedata.com/resource/chembl/compound/114105

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2
chemicalCompound:standardIn...	INFDPOAKFNIJBF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C[n+]1ccc(cc1)c2cc[n+](C)cc2
chemicalCompound:molecularF...	C12H14N2
chemicalCompound:moleculeId	114105
chemicalCompound:mwFreebase	186.253
chemicalCompound:alogp	2.557
chemicalCompound:hba	0
chemicalCompound:hbd	0
chemicalCompound:psa	7.76
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-2.562
chemicalCompound:acdLogD	-2.562
chemicalCompound:fullMwt	186.253
chemicalCompound:chemblId	CHEMBL74469
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:214105
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	PARAQUAT
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:34905