C[C@@H](Cn1ncc2ccc3c(c21)O[C@H](CO)CO3)NC(=O)OCc1ccccc1
SMILES: C[C@@H](Cn1ncc2ccc3c(c21)O[C@H](CO)CO3)NC(=O)OCc1ccccc1

Molecular Processing

Molecular formula
C21H23N3O5
Molecular weight
397.43
Exact mass
397.1638
XLogP
2.48
TPSA
94.84
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
105.95

Supplementary Information

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