SMILES:
C=C(C)[C@@H]1CC[C@]2(N=C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12Molecular Processing
Molecular formula
C30H47NO2
Molecular weight
453.71
Exact mass
453.3607
XLogP
7.09
TPSA
49.66
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
33
Rings
5
Aromatic rings
0
Saturated rings
5
Aliphatic rings
5
Stereo centers
10
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.9
Molar refractivity
133.4
Supplementary Information
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