Name: compound 6
SMILES:
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(I)c2c(N)ncnc21Molecular Processing
Molecular formula
C12H15IN4O4
Molecular weight
406.18
Exact mass
406.0138
XLogP
-0.38
TPSA
126.65
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
82.28
Supplementary Information
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