C[C@]12C[C@H]3CC[C@@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3C[C@@H]1CC[C@@H]2C#N
SMILES: C[C@]12C[C@H]3CC[C@@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3C[C@@H]1CC[C@@H]2C#N

Molecular Processing

Molecular formula
C20H31NO
Molecular weight
301.47
Exact mass
301.2406
XLogP
4.53
TPSA
44.02
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
22
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.95
Molar refractivity
86.84

Supplementary Information

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