SMILES:
C#CC1=CCC2C3CCC4=CC(=O)C=CC4(C)C3CCC12CMolecular Processing
Molecular formula
C21H24O
Molecular weight
292.42
Exact mass
292.1827
XLogP
4.46
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
22
Rings
4
Aromatic rings
0
Saturated rings
2
Aliphatic rings
4
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
88.92
Supplementary Information
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