Name: Benzoylacetonitrile
SMILES:
N#CCC(=O)c1ccccc1Molecular Processing
Molecular formula
C9H7NO
Molecular weight
145.16
Exact mass
145.0528
XLogP
1.78
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
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
41
Supplementary Information
Details werden geladen…
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