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2D Structure

Xylenol


  • SKU Code: CH137468
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Chemical Name - Xylenol
Mol Weight - 124.182
Smiles - CC1C=CC=CC1(C)O
Property Name Property Value
Mol NameXylenol
Molweight124.182
Monoisotopic Mass124.088815
Clogp1.2164
Clogs-1.564
H Acceptors1
H Donors1
Total Surface Area106.78
Relative Psa0.12268
Polar Surface Area20.23
Druglikeness3.4117
Mutageniclow
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Shape Index0.55556
Molecular Flexibility0.26644
Molecular Complexity0.73611
Fragments1
Non H Atoms9
Non Ch Atoms1
Electronegative Atoms1
Stereo Centers2
Rings Closures1
Small Rings1
Sp3 Atoms5
SmilesCC1C=CC=CC1(C)O
InChIKeyInChI=1S/C8H12O/c1-7-5-3-4-6-8(7,2)9/h3-7,9H,1-2H3
InChIKSZZNVMRUFCPQA-UHFFFAOYSA-N

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