SMILES:
O=C1c2c(I)cc(Cl)cc2CN1Cc1ccc(F)cc1Molecular Processing
Molecular formula
C15H10ClFINO
Molecular weight
401.61
Exact mass
400.948
XLogP
4.24
TPSA
20.31
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
84.15
Supplementary Information
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