SMILES:
CCC=CCC=CCC=CCC=CCCC=CC=C(C)C(=O)OMolecular Processing
Molecular formula
C21H30O2
Molecular weight
314.47
Exact mass
314.2246
XLogP
6.16
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
12
Heavy atoms
23
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
100.47
Supplementary Information
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