SMILES:
OC[C@H]1O[C@@H](n2c(Cl)nc3cc(Br)c(Cl)cc32)[C@H](O)[C@@H]1OMolecular Processing
Molecular formula
C12H11BrCl2N2O4
Molecular weight
398.04
Exact mass
395.9279
XLogP
1.72
TPSA
87.74
H-bond donors
3
H-bond acceptors
5
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
0.417
Molar refractivity
80.46
Supplementary Information
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