SMILES:
CNC(=O)c1ccncc1Nc1ccc(I)cc1ClMolecular Processing
Molecular formula
C13H11ClIN3O
Molecular weight
387.61
Exact mass
386.9635
XLogP
3.44
TPSA
54.02
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
85.08
Supplementary Information
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