O=C(Nc1ccc(Cc2ccncc2)cc1)Nc1cc(Cl)c([N+](=O)[O-])cc1O
SMILES: O=C(Nc1ccc(Cc2ccncc2)cc1)Nc1cc(Cl)c([N+](=O)[O-])cc1O

Molecular Processing

Molecular formula
C19H15ClN4O4
Molecular weight
398.81
Exact mass
398.0782
XLogP
4.58
TPSA
117.39
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.053
Molar refractivity
105.9

Supplementary Information

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