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

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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