SMILES:
O=C(NOC[C@H](O)CO)c1ccnc(Cl)c1Nc1ccc(I)cc1FMolecular Processing
Molecular formula
C15H14ClFIN3O4
Molecular weight
481.65
Exact mass
480.9702
XLogP
2.24
TPSA
103.71
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
98.16
Supplementary Information
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