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Chem Veratraldehyde 2lab | Cheminformatics

Veratraldehyde


  • SKU Code: CH138072
Chemical Name - Veratraldehyde
Mol Weight - 166.175
Smiles - COc(ccc(C=O)c1)c1OC
Property Name Property Value
Mol NameVeratraldehyde
Molweight166.175
Monoisotopic Mass166.062995
Clogp1.4529
Clogs-1.976
H Acceptors3
Total Surface Area137.32
Relative Psa0.24061
Polar Surface Area35.53
Druglikeness-3.9857
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.66667
Molecular Flexibility0.4458
Molecular Complexity0.65854
Fragments1
Non H Atoms12
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds3
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms4
SmilesCOc(ccc(C=O)c1)c1OC
InChIKeyInChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3
InChIWJUFSDZVCOTFON-UHFFFAOYSA-N

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