SMILES:
O=C(C(=O)C1CC2C=CC1C2)C1CC2C=CC1C2Molecular Processing
Molecular formula
C16H18O2
Molecular weight
242.32
Exact mass
242.1307
XLogP
2.55
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
18
Rings
4
Aromatic rings
0
Saturated rings
2
Aliphatic rings
4
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
67.7
Supplementary Information
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