SMILES:
CC1CC(OC(=O)C(C)(C)Oc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC(C)(C)C1Molecular Processing
Molecular formula
C26H31ClO4
Molecular weight
442.98
Exact mass
442.1911
XLogP
6.49
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
122.71
Supplementary Information
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