Bioactive Compound Details

BioIDbio199631
NameACETONE
ChEMBL IDCHEMBL14253
Molecular FormulaC3H6O
Molecular Weight58.08
Molecular Weight (Monoisotopic)58.0419
TypeSmall molecule
Max PhaseUnknown
Target IDTar81
Target NameNone
Synonyms2-Propanone|ACETONE|DIMETHYL KETONE|Dimethylformaldehyde|FEMA NO. 3326|NSC-135802|PYROACETIC ETHER|Propan-2-one|TAIMAX
SmilesCC(C)=O
InchiInChI=1S/C3H6O/c1-3(2)4/h1-2H3
Inchi KeyCSCPPACGZOOCGX-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets13.0
Bioactivities573.0
Np Likeness Score0.09
Records Key['18', 'Propan-2-one', 'Acetone', 'HNL3', '8', 'ACETONE', 'Acetone', '37', '21', '55', 'SID17389680', 'SID144209678', 'Propanone', 'acetone', 'Acetone', 'SID144204647', '35', 'acetone 0.1 volume percent', '10a', 'ACETONE', 'Acetone', 'Table 2; R5C1']
Records Name['Propan-2-one', 'Propan-2-one', 'Propan-2-one', 'Propan-2-one', 'Acetone', 'ACETONE', 'Propan-2-one', 'Propan-2-one', 'Propan-2-one', 'propan-2-one', 'SID17389680', 'SID144209678', 'Propanone', 'acetone', 'Acetone', 'SID144204647', 'Propan-2-one', 'acetone', 'Acetone', 'ACETONE', 'Acetone', 'Acetone']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure