COC1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](N=[N+]=[N-])[C@H]1OCc1ccccc1
SMILES: COC1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](N=[N+]=[N-])[C@H]1OCc1ccccc1

Molecular Processing

Molecular formula
C21H23N3O6
Molecular weight
413.43
Exact mass
413.1587
XLogP
2.84
TPSA
122.98
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
106.35

Supplementary Information

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