C[C@]12CC[C@H]3[C@@H](CCC45OC4C(=O)CC[C@H]35)[C@@H]1CC/C2=C\Cl
SMILES: C[C@]12CC[C@H]3[C@@H](CCC45OC4C(=O)CC[C@H]35)[C@@H]1CC/C2=C\Cl

Molecular Processing

Molecular formula
C19H25ClO2
Molecular weight
320.86
Exact mass
320.1543
XLogP
4.46
TPSA
29.6
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
22
Rings
5
Aromatic rings
0
Saturated rings
5
Aliphatic rings
5
Stereo centers
7
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.842
Molar refractivity
85.55

Supplementary Information

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