SMILES:
COc1ccccc1C(OCCN1CCOCC1)c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1Molecular Processing
Molecular formula
C30H33N3O6
Molecular weight
531.61
Exact mass
531.2369
XLogP
3.93
TPSA
91.38
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
39
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
144.39
Supplementary Information
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