SMILES:
CC(=O)Oc1ccc2c(c1)CCC1C2CCC2(C)C(=O)CCC12Molecular Processing
Molecular formula
C20H24O3
Molecular weight
312.41
Exact mass
312.1725
XLogP
4.04
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
23
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
87.38
Supplementary Information
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