SMILES:
CC(Cl)(Cl)C(NC(=O)c1ccc(Cl)cc1)n1nnc2ccccc21Molecular Processing
Molecular formula
C16H13Cl3N4O
Molecular weight
383.67
Exact mass
382.0155
XLogP
4.21
TPSA
59.81
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
95.59
Supplementary Information
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