SMILES:
COC(=O)c1ccc(CC2Cc3c(cccc3-c3cccc4ccccc34)C2=O)cc1Molecular Processing
Molecular formula
C28H22O3
Molecular weight
406.48
Exact mass
406.1569
XLogP
5.89
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
122.39
Supplementary Information
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