SMILES:
C[C@]12C=C[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C#N)CC[C@@H]12Molecular Processing
Molecular formula
C20H29NO
Molecular weight
299.46
Exact mass
299.2249
XLogP
4.31
TPSA
44.02
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
22
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.85
Molar refractivity
86.74
Supplementary Information
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