SMILES:
CC12C=CC(=O)C=C1CCC1C3CC(O)C(O)(C(=O)CCl)C3(C)CC(O)C12FMolecular Processing
Molecular formula
C21H26ClFO5
Molecular weight
412.89
Exact mass
412.1453
XLogP
1.87
TPSA
94.83
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
28
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
8
Undefined stereo
8
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
100.42
Supplementary Information
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