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2D Structure

Guaiacol


  • SKU Code: CH138937
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Chemical Name - Guaiacol
Mol Weight - 124.139
Smiles - COc(cccc1)c1O
Property Name Property Value
Mol NameGuaiacol
Molweight124.139
Monoisotopic Mass124.05243
Clogp1.2439
Clogs-1.338
H Acceptors2
H Donors1
Total Surface Area101.87
Relative Psa0.22676
Polar Surface Area29.46
Druglikeness-1.9944
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritanthigh
Shape Index0.66667
Molecular Flexibility0.28257
Molecular Complexity0.67701
Fragments1
Non H Atoms9
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms3
SmilesCOc(cccc1)c1O
InChIKeyInChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
InChILHGVFZTZFXWLCP-UHFFFAOYSA-N

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