SMILES:
COc1ccc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)c(NCCO)c1Molecular Processing
Molecular formula
C21H17N3O6
Molecular weight
407.38
Exact mass
407.1117
XLogP
2.96
TPSA
122.01
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
110.31
Supplementary Information
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