SMILES:
C#CCC1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12Molecular Processing
Molecular formula
C22H28O2
Molecular weight
324.46
Exact mass
324.2089
XLogP
4.34
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
24
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
0.727
Molar refractivity
94.04
Supplementary Information
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