COc1ccc(CC2(NCC(O)c3ccc(O)c4c3OCC(=O)N4)CC2)cc1OC
SMILES: COc1ccc(CC2(NCC(O)c3ccc(O)c4c3OCC(=O)N4)CC2)cc1OC

Molecular Processing

Molecular formula
C22H26N2O6
Molecular weight
414.46
Exact mass
414.1791
XLogP
2.14
TPSA
109.28
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
110.41

Supplementary Information

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