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Chem Nitroxynil | Cheminformatics

Nitroxynil


  • SKU Code: CH136867
Chemical Name - Nitroxynil
Mol Weight - 290.012
Smiles - N#Cc(cc1[N+]([O-])=O)cc(I)c1O
Property Name Property Value
Mol NameNitroxynil
Molweight290.012
Monoisotopic Mass289.918841
Clogp0.665
Clogs-3.569
H Acceptors5
H Donors1
Total Surface Area151.27
Relative Psa0.37734
Polar Surface Area89.84
Druglikeness-10.271
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.53846
Molecular Flexibility0.3043
Molecular Complexity0.76245
Fragments1
Non H Atoms13
Non Ch Atoms6
Electronegative Atoms6
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms2
Acidic Oxygens1
SmilesN#Cc(cc1[N+]([O-])=O)cc(I)c1O
InChIKey
InChIC7H3N2O3I

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