SMILES:
CC12CC(=O)C3C(CCC4CC5OC5CC43C)C1CCC2C#NMolecular Processing
Molecular formula
C20H27NO2
Molecular weight
313.44
Exact mass
313.2042
XLogP
3.73
TPSA
53.39
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
23
Rings
5
Aromatic rings
0
Saturated rings
5
Aliphatic rings
5
Stereo centers
9
Undefined stereo
9
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.9
Molar refractivity
85.26
Supplementary Information
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