SMILES:
COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCBrMolecular Processing
Molecular formula
C18H15BrCl2N2O4
Molecular weight
474.14
Exact mass
471.9592
XLogP
5.41
TPSA
73.59
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
110.48
Supplementary Information
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