SMILES:
COc1ccc(C2(CCO)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1OCMolecular Processing
Molecular formula
C24H31NO7
Molecular weight
445.51
Exact mass
445.2101
XLogP
2.9
TPSA
86.69
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
32
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
0.458
Molar refractivity
119.55
Supplementary Information
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