SMILES:
COCc1cc(I)c2c(c1O)CNC2=OMolecular Processing
Molecular formula
C10H10INO3
Molecular weight
319.1
Exact mass
318.9705
XLogP
1.39
TPSA
58.56
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
62.71
Supplementary Information
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