SMILES:
CCOC(=O)CCn1cc(Cl)c2cc(-c3noc(-c4ccc(O)c(Cl)c4)n3)ccc21Molecular Processing
Molecular formula
C21H17Cl2N3O4
Molecular weight
446.29
Exact mass
445.0596
XLogP
5.32
TPSA
90.38
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
113.6
Supplementary Information
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