Chem 25 Xylenol | Cheminformatics
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2D Structure

2,5-Xylenol


  • SKU Code: CH138053
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Chemical Name - 2,5-Xylenol
Mol Weight - 122.166
Smiles - Cc1cc(O)c(C)cc1
Property Name Property Value
Mol Name2,5-Xylenol
Molweight122.166
Monoisotopic Mass122.073165
Clogp2.0017
Clogs-2.008
H Acceptors1
H Donors1
Total Surface Area104.13
Relative Psa0.1258
Polar Surface Area20.23
Druglikeness-2.315
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Shape Index0.66667
Molecular Complexity0.72259
Fragments1
Non H Atoms9
Non Ch Atoms1
Electronegative Atoms1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms3
SmilesCc1cc(O)c(C)cc1
InChIKeyInChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3
InChINKTOLZVEWDHZMU-UHFFFAOYSA-N

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