SMILES:
Cl.O=c1[nH]c(-c2cccn(C[C@@H]3CNCCO[C@H]3c3ccc(Cl)c(Cl)c3)c2=O)no1Molecular Processing
Molecular formula
C19H19Cl3N4O4
Molecular weight
473.74
Exact mass
472.0472
XLogP
2.9
TPSA
102.15
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.316
Molar refractivity
115.58
Supplementary Information
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