SMILES:
C=C1CC(C)OC1=O.C=Cc1ccccc1C=CMolecular Processing
Molecular formula
C16H18O2
Molecular weight
242.32
Exact mass
242.1307
XLogP
3.85
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
2
Fraction Csp3
0.188
Molar refractivity
75.94
Supplementary Information
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