Nombre: Example 1
SMILES:
O=C(O)c1c(Nc2ccc(I)cc2F)c(F)c(=O)n2c1CCC2Molecular Processing
Molecular formula
C15H11F2IN2O3
Molecular weight
432.16
Exact mass
431.9782
XLogP
3.12
TPSA
71.33
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
88.34
Supplementary Information
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