Name: 1-[2-(4-fluoro-phenyl)-ethyl]-3-iodo-5-methyl-1H-pyrazole
SMILES:
Cc1cc(I)nn1CCc1ccc(F)cc1Molecular Processing
Molecular formula
C12H12FIN2
Molecular weight
330.14
Exact mass
330.0029
XLogP
3.18
TPSA
17.82
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
69.79
Supplementary Information
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