Name: 5-(4-hydroxy-phenyl)-6-methyl-2-oxo-1,2-dihydro-pyridine-3-carbonitrile
SMILES:
Cc1[nH]c(=O)c(C#N)cc1-c1ccc(O)cc1Molecular Processing
Molecular formula
C13H10N2O2
Molecular weight
226.24
Exact mass
226.0742
XLogP
1.93
TPSA
76.88
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
63.62
Supplementary Information
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