SMILES:
COc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc32)nc1OMolecular Processing
Molecular formula
C16H13IN4O4
Molecular weight
452.21
Exact mass
451.9982
XLogP
1.2
TPSA
113.44
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
96.7
Supplementary Information
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