SMILES:
CN(C=C1CCC(C)(c2ccc(C#N)cc2)C1=O)c1ccccc1Molecular Processing
Molecular formula
C21H20N2O
Molecular weight
316.4
Exact mass
316.1576
XLogP
4.2
TPSA
44.1
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
95.68
Supplementary Information
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