SMILES:
COc1cc2oc(=O)c3c(c2cc1OCCCO)CCC3Molecular Processing
Molecular formula
C16H18O5
Molecular weight
290.32
Exact mass
290.1154
XLogP
2.05
TPSA
68.9
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
78.26
Supplementary Information
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