SMILES:
CC(=O)C(CC1CCC1)c1cccc(C#N)c1Molecular Processing
Molecular formula
C15H17NO
Molecular weight
227.31
Exact mass
227.131
XLogP
3.42
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
66.54
Supplementary Information
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