SMILES:
CC12CCC(=O)C=C1C=CC1C2=CCC2(C)C(=O)CCC12OMolecular Processing
Molecular formula
C19H22O3
Molecular weight
298.38
Exact mass
298.1569
XLogP
2.9
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
22
Rings
4
Aromatic rings
0
Saturated rings
1
Aliphatic rings
4
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
83.06
Supplementary Information
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