SMILES:
COc1cc(CCCC2OC(=O)NC2=O)ccc1OCc1coc(CCc2ccccc2)n1Molecular Processing
Molecular formula
C25H26N2O6
Molecular weight
450.49
Exact mass
450.1791
XLogP
4.01
TPSA
99.89
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
119.03
Supplementary Information
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