Nombre: 9
SMILES:
COCCOCCO[C@H]1c2ccn3c(C)c(C)nc3c2N[C@H](c2ccccc2)[C@H]1OMolecular Processing
Molecular formula
C23H29N3O4
Molecular weight
411.5
Exact mass
411.2158
XLogP
3.2
TPSA
77.25
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
114.87
Supplementary Information
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