SMILES:
O=C1CC2C(CC(OC(=O)c3ccccc3)C2C=CC(O)COc2cccc(Cl)c2)O1Molecular Processing
Molecular formula
C24H23ClO6
Molecular weight
442.9
Exact mass
442.1183
XLogP
3.81
TPSA
82.06
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
113.83
Supplementary Information
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