SMILES:
COc1ccccc1C1CC(C)CCC1=OMolecular Processing
Molecular formula
C14H18O2
Molecular weight
218.3
Exact mass
218.1307
XLogP
3.17
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
63.76
Supplementary Information
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