名称: 1,2-dihydro-2-oxo-5-(4-pyridinyl)-nicotinonitrile
SMILES:
N#Cc1cc(-c2ccncc2)c[nH]c1=OMolecular Processing
Molecular formula
C11H7N3O
Molecular weight
197.2
Exact mass
197.0589
XLogP
1.31
TPSA
69.54
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
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
Molar refractivity
55.01
Supplementary Information
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