SMILES:
CC(Cl)(Cl)C(NC(=O)c1ccc(Cl)cc1)Nc1c(Nc2cccnc2)c(=O)c1=OMolecular Processing
Molecular formula
C19H15Cl3N4O3
Molecular weight
453.71
Exact mass
452.021
XLogP
3.44
TPSA
100.19
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
115.31
Supplementary Information
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