C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.O=C([O-])Cl
SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.O=C([O-])Cl

Molecular Processing

Molecular formula
C20H28ClO4-
Molecular weight
367.89
Exact mass
367.1682
XLogP
3.45
TPSA
77.43
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
25
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
6
Undefined stereo
0
Formal charge
-1
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.8
Molar refractivity
93.97

Supplementary Information

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