SpiceCom: A database of phytochemicals in major spices

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HEXAN-2-ONE

PubChem ID
11583
Chemical Name
HEXAN-2-ONE
Molecular Formula
C6H12O
Canonical SMILES
CCCCC(=O)C
IUPAC Name
hexan-2-one
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
Molecular Weight
100.161 g/mol
XLogP
1.4
Rotatable Bond Count
3
Lipinsky's Rule of Five
Yes
Sources
Clove
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