COc1ccc(C(=O)Nc2ccc3c(c2[N+](=O)[O-])C(=O)NC(=O)C3(C)C)c(OC)c1
SMILES: COc1ccc(C(=O)Nc2ccc3c(c2[N+](=O)[O-])C(=O)NC(=O)C3(C)C)c(OC)c1

Molecular Processing

Molecular formula
C20H19N3O7
Molecular weight
413.39
Exact mass
413.1223
XLogP
2.41
TPSA
136.87
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
106.09

Supplementary Information

Details werden geladen…

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