CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32.O=C([O-])c1cc(O)ccc1O
SMILES: CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32.O=C([O-])c1cc(O)ccc1O

Molecular Processing

Molecular formula
C28H31N2O7-
Molecular weight
507.56
Exact mass
507.2137
XLogP
2.41
TPSA
135.29
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
37
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
3
Undefined stereo
0
Formal charge
-1
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.429
Molar refractivity
132.84

Supplementary Information

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