SMILES:
COC(=O)c1cc(N)c(Oc2ccccc2OC)c(OCCOC2CCCCO2)c1Molecular Processing
Molecular formula
C22H27NO7
Molecular weight
417.46
Exact mass
417.1788
XLogP
3.78
TPSA
98.47
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
110.3
Supplementary Information
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