SMILES:
COc1cc(-c2coc3c(I)cnc(N)c23)ccc1NMolecular Processing
Molecular formula
C14H12IN3O2
Molecular weight
381.17
Exact mass
380.9974
XLogP
3.27
TPSA
87.3
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
87.54
Supplementary Information
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