SMILES:
CCN1N(c2ccc(I)cn2)C(=O)CC1(C)CMolecular Processing
Molecular formula
C12H16IN3O
Molecular weight
345.18
Exact mass
345.0338
XLogP
2.44
TPSA
36.44
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
75.52
Supplementary Information
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