SMILES:
C1=CC2CCC1C2.C=CC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C14H22O2
Molecular weight
222.33
Exact mass
222.162
XLogP
3.49
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
2
Fraction Csp3
0.643
Molar refractivity
66.01
Supplementary Information
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