SMILES:
O=C(O)C(=O)O.O[C@H](COc1cccc2[nH]ccc12)CN1CCC(Oc2ccccc2)CC1Molecular Processing
Molecular formula
C24H28N2O7
Molecular weight
456.5
Exact mass
456.1897
XLogP
2.61
TPSA
132.32
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.333
Molar refractivity
121.6
Supplementary Information
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