SMILES:
CCC(O)COc1ccccc1-c1cc(=O)c2cc(C(=O)O)ccc2o1Molecular Processing
Molecular formula
C20H18O6
Molecular weight
354.36
Exact mass
354.1103
XLogP
3.31
TPSA
96.97
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
96.67
Supplementary Information
Obteniendo detalles…
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