SMILES:
COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCOCCBrMolecular Processing
Molecular formula
C19H17BrCl2N2O5
Molecular weight
504.16
Exact mass
501.9698
XLogP
5.04
TPSA
82.82
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
116.68
Supplementary Information
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