SMILES:
CCOC(=O)COc1ccc2c(c1)C(=O)CC1(CCCCC1)O2Molecular Processing
Molecular formula
C18H22O5
Molecular weight
318.37
Exact mass
318.1467
XLogP
3.3
TPSA
61.83
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
83.96
Supplementary Information
Récupération des détails…
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