SMILES:
O=C1CC(=O)OC(CCc2ccc(OCc3ccccc3)cc2)(C2CCCC2)C1Molecular Processing
Molecular formula
C25H28O4
Molecular weight
392.5
Exact mass
392.1988
XLogP
5.03
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
110.56
Supplementary Information
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