SMILES:
CN1C(=O)CNN(c2cc(Cl)c(C(C#N)c3ccc(Cl)cc3)c(Cl)c2)C1=OMolecular Processing
Molecular formula
C18H13Cl3N4O2
Molecular weight
423.69
Exact mass
422.0104
XLogP
4.21
TPSA
76.44
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
104.02
Supplementary Information
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