SMILES:
COc1ccc2c(c1)C[C@@H](C)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@H](C)[C@H]3C[C@]132Molecular Processing
Molecular formula
C22H28O2
Molecular weight
324.46
Exact mass
324.2089
XLogP
4.61
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
24
Rings
5
Aromatic rings
1
Saturated rings
3
Aliphatic rings
4
Stereo centers
7
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.682
Molar refractivity
94.15
Supplementary Information
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