SMILES:
O=C1CC2CC2(c2cccc3ccccc23)C1Molecular Processing
Molecular formula
C16H14O
Molecular weight
222.29
Exact mass
222.1045
XLogP
3.46
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
17
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
67.97
Supplementary Information
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