SMILES:
COC(=O)C(C/C=C/c1ccc(Oc2ncccn2)cc1)NC(=O)c1c(Cl)cccc1ClMolecular Processing
Molecular formula
C23H19Cl2N3O4
Molecular weight
472.33
Exact mass
471.0753
XLogP
4.95
TPSA
90.41
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.13
Molar refractivity
121.93
Supplementary Information
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