SMILES:
COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCC(=O)OMolecular Processing
Molecular formula
C19H16Cl2N2O6
Molecular weight
439.25
Exact mass
438.0385
XLogP
4.49
TPSA
110.89
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
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
0.211
Molar refractivity
108.94
Supplementary Information
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