SMILES:
CC12CC(=O)C3C(CCC4CC=CCC43C)C1CCC2C#NMolecular Processing
Molecular formula
C20H27NO
Molecular weight
297.44
Exact mass
297.2093
XLogP
4.51
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
22
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
7
Undefined stereo
7
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
85.74
Supplementary Information
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