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2D Structure

Nicotinamide


  • SKU Code: CH139774
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Chemical Name - Nicotinamide
Mol Weight - 122.127
Smiles - NC(c1cnccc1)=O
Property Name Property Value
Mol NameNicotinamide
Molweight122.127
Monoisotopic Mass122.048013
Clogp-0.254
Clogs-0.91
H Acceptors3
H Donors1
Total Surface Area98.29
Relative Psa0.39963
Polar Surface Area55.98
Druglikeness-0.67966
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.66667
Molecular Flexibility0.4098
Molecular Complexity0.7083
Fragments1
Non H Atoms9
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Amides1
Aromatic Nitrogens1
SmilesNC(c1cnccc1)=O
InChIKeyInChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
InChIDFPAKSUCGFBDDF-UHFFFAOYSA-N

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