SMILES:
CC(C)Cc1ccc(C2(c3ccccc3)OC(=O)C(O)=C2O)cc1Molecular Processing
Molecular formula
C20H20O4
Molecular weight
324.38
Exact mass
324.1362
XLogP
4.01
TPSA
66.76
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
90.58
Supplementary Information
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