SMILES:
COc1ccc(CC2(O)CCN(CC3Cc4cc(OCc5ccccc5)ccc4O3)CC2)cc1Molecular Processing
Molecular formula
C29H33NO4
Molecular weight
459.59
Exact mass
459.241
XLogP
4.65
TPSA
51.16
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.379
Molar refractivity
132.66
Supplementary Information
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