Chem Acetophenone 2 Lokc | Cheminformatics
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2D Structure

Acetophenone


  • SKU Code: CH142004
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Chemical Name - Acetophenone
Mol Weight - 120.151
Smiles - CC(c1ccccc1)=O
InChI - KWOLFJPFCHCOCG-UHFFFAOYSA-N
InChIKey - InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
Property Name Property Value
Mol NameAcetophenone
Molweight120.151
Monoisotopic Mass120.057515
Clogp1.5308
Clogs-2.3
H Acceptors1
Total Surface Area103.27
Relative Psa0.12627
Polar Surface Area17.07
Druglikeness-1.9442
Mutagenichigh
Tumorigenicnone
Reproductive Effectivehigh
Irritanthigh
Shape Index0.66667
Molecular Flexibility0.4098
Molecular Complexity0.62123
Fragments1
Non H Atoms9
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms1
Symmetric Atoms2
SmilesCC(c1ccccc1)=O
InChIKeyInChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
InChIKWOLFJPFCHCOCG-UHFFFAOYSA-N

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