SpiceCom: A database of phytochemicals in major spices

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NIACIN

PubChem ID
938
Chemical Name
NIACIN
Molecular Formula
C6H5NO2
Canonical SMILES
C1=CC(=CN=C1)C(=O)O
IUPAC Name
pyridine-3-carboxylic acid
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
Molecular Weight
123.111 g/mol
XLogP
0.4
Rotatable Bond Count
1
Lipinsky's Rule of Five
Yes
Sources
Allspice, Black pepper, Cardamom, Cinnamon, Ginger, Turmeric
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