CONC(=O)c1ccncc1Nc1ccc(I)cc1Cl
SMILES: CONC(=O)c1ccncc1Nc1ccc(I)cc1Cl

Molecular Processing

Molecular formula
C13H11ClIN3O2
Molecular weight
403.61
Exact mass
402.9585
XLogP
3.37
TPSA
63.25
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
86.16

Supplementary Information

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