SMILES:
Cl.N[C@H]1CCN(c2cc(Cl)c3c4c(ccc(Cl)c24)C(=O)N(O)C3=O)C1Molecular Processing
Molecular formula
C16H14Cl3N3O3
Molecular weight
402.67
Exact mass
401.0101
XLogP
3.09
TPSA
86.87
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.25
Molar refractivity
98.31
Supplementary Information
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