Name: 2-[4-(1-imidazolyl)-phenyl]propionitrile
SMILES:
CC(C#N)c1ccc(-n2ccnc2)cc1Molecular Processing
Molecular formula
C12H11N3
Molecular weight
197.24
Exact mass
197.0953
XLogP
2.5
TPSA
41.61
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
57.59
Supplementary Information
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