Name: 2-cyanophenylacetonitrile
SMILES:
N#CCc1ccccc1C#NMolecular Processing
Molecular formula
C9H6N2
Molecular weight
142.16
Exact mass
142.0531
XLogP
1.62
TPSA
47.58
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
40.47
Supplementary Information
Details werden geladen…
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