Nom: 4-(2-imidazolylacetyl)benzenecarbonitrile
SMILES:
N#Cc1ccc(C(=O)Cc2ncc[nH]2)cc1Molecular Processing
Molecular formula
C12H9N3O
Molecular weight
211.22
Exact mass
211.0746
XLogP
1.71
TPSA
69.54
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
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
0.083
Molar refractivity
57.78
Supplementary Information
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