SMILES:
COc1ccc(C(=O)c2cc(Cl)ccc2-n2nc(C(=O)N3CCOCC3)nc2CCl)cc1Molecular Processing
Molecular formula
C22H20Cl2N4O4
Molecular weight
475.33
Exact mass
474.0862
XLogP
3.37
TPSA
86.55
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
119.08
Supplementary Information
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