SMILES:
Cc1cccc(Cl)c1Nc1ccccc1CC(=O)Oc1ccc([N+](=O)[O-])cc1Molecular Processing
Molecular formula
C21H17ClN2O4
Molecular weight
396.83
Exact mass
396.0877
XLogP
5.45
TPSA
81.47
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.095
Molar refractivity
108.35
Supplementary Information
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