SMILES:
C#CC1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3CCC21CMolecular Processing
Molecular formula
C21H26O2
Molecular weight
310.44
Exact mass
310.1933
XLogP
3.66
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
23
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
90.4
Supplementary Information
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