SMILES:
O=C(NOCc1ccccc1)c1ccncc1Nc1ccc(I)cc1ClMolecular Processing
Molecular formula
C19H15ClIN3O2
Molecular weight
479.71
Exact mass
478.9898
XLogP
4.94
TPSA
63.25
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
26
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
0.053
Molar refractivity
110.39
Supplementary Information
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