الاسم: 1-(4-cyanobenzyl)-5-imidazole carboxaldehyde
SMILES:
N#Cc1ccc(Cn2cncc2C=O)cc1Molecular Processing
Molecular formula
C12H9N3O
Molecular weight
211.22
Exact mass
211.0746
XLogP
1.62
TPSA
58.68
H-bond donors
0
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
57.87
Supplementary Information
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