SMILES:
O=C1OC2(CCN(c3nc4cc(I)ccc4[nH]3)CC2)c2ccccc21Molecular Processing
Molecular formula
C19H16IN3O2
Molecular weight
445.26
Exact mass
445.0287
XLogP
3.83
TPSA
58.22
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
25
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
103.79
Supplementary Information
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