SMILES:
COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)[nH]c2c1OC1CCCC1Molecular Processing
Molecular formula
C20H19Cl2N3O3
Molecular weight
420.3
Exact mass
419.0803
XLogP
5.3
TPSA
76.24
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
111.54
Supplementary Information
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