SMILES:
Cc1cc2c(OCC(O)CN3CC4CC=CCC3CN4c3ccc4c(c3)OCCO4)cccc2[nH]1Molecular Processing
Molecular formula
C28H33N3O4
Molecular weight
475.59
Exact mass
475.2471
XLogP
3.9
TPSA
70.19
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
35
Rings
7
Aromatic rings
3
Saturated rings
1
Aliphatic rings
4
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
136.84
Supplementary Information
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