SMILES:
CCONC(=O)c1ccncc1Nc1ccc(I)cc1CMolecular Processing
Molecular formula
C15H16IN3O2
Molecular weight
397.22
Exact mass
397.0287
XLogP
3.42
TPSA
63.25
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
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
0.2
Molar refractivity
90.51
Supplementary Information
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