COc1cccc(N2CCC[C@@H]2c2cc(C(=O)O)cc3c(=O)cc(N4CCOCC4)oc23)c1
SMILES: COc1cccc(N2CCC[C@@H]2c2cc(C(=O)O)cc3c(=O)cc(N4CCOCC4)oc23)c1

Molecular Processing

Molecular formula
C25H26N2O6
Molecular weight
450.49
Exact mass
450.1791
XLogP
3.68
TPSA
92.45
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
124.79

Supplementary Information

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