SMILES:
O=C1NCCc2c(-c3ccc(Cl)c(C(F)(F)F)c3)[nH]c3cccc1c23Molecular Processing
Molecular formula
C18H12ClF3N2O
Molecular weight
364.75
Exact mass
364.059
XLogP
4.79
TPSA
44.89
H-bond donors
2
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
89.78
Supplementary Information
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