SMILES:
C=C1CCC2C3CCc4cc(OC(C)=O)ccc4C3CCC12CMolecular Processing
Molecular formula
C21H26O2
Molecular weight
310.44
Exact mass
310.1933
XLogP
5.02
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
23
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
91.51
Supplementary Information
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