SMILES:
COCCC(CNC(=O)c1cccc(Cl)c1Cl)c1cnc(C(F)(F)F)nc1Molecular Processing
Molecular formula
C17H16Cl2F3N3O2
Molecular weight
422.23
Exact mass
421.0572
XLogP
4.35
TPSA
64.11
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
95.06
Supplementary Information
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