SMILES:
C=CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12CMolecular Processing
Molecular formula
C22H32O3
Molecular weight
344.5
Exact mass
344.2351
XLogP
3.94
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
8
Undefined stereo
8
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.818
Molar refractivity
96.82
Supplementary Information
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