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2D Structure

1-Allyl Imidazole


  • SKU Code: CH138482
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Chemical Name - 1-Allyl Imidazole
Mol Weight - 108.144
Smiles - C=CCn1cncc1
Property Name Property Value
Mol Name1-Allyl Imidazole
Molweight108.144
Monoisotopic Mass108.068748
Clogp0.4775
Clogs-0.308
H Acceptors2
Total Surface Area99.52
Relative Psa0.17926
Polar Surface Area17.82
Druglikeness0.6475
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.75
Molecular Flexibility0.61643
Molecular Complexity0.64124
Fragments1
Non H Atoms8
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds2
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms5
Sp3 Atoms1
Aromatic Nitrogens2
Basic Nitrogens1
SmilesC=CCn1cncc1
InChIKeyInChI=1S/C6H8N2/c1-2-4-8-5-3-7-6-8/h2-3,5-6H,1,4H2
InChIXLXCHZCQTCBUOX-UHFFFAOYSA-N

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