SMILES:
C1=CC2CCC1C2.O=C(O)C1CC2C=CC1C2.O=C1C=CC(=O)O1Molecular Processing
Molecular formula
C19H22O5
Molecular weight
330.38
Exact mass
330.1467
XLogP
2.88
TPSA
80.67
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
24
Rings
5
Aromatic rings
0
Saturated rings
2
Aliphatic rings
5
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
5
Covalent units
3
Fraction Csp3
0.526
Molar refractivity
86.69
Supplementary Information
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