SMILES:
CC#CCC(C)C(O)C=CC1CCC(=O)C1CC=CCCCC(=O)OMolecular Processing
Molecular formula
C21H30O4
Molecular weight
346.47
Exact mass
346.2144
XLogP
3.75
TPSA
74.6
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
10
Heavy atoms
25
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
98.84
Supplementary Information
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