이름: 2,6-difluoro-N-[5-(4-iodophenyl)-1H-pyrazol-4-yl]benzamide
SMILES:
O=C(Nc1cn[nH]c1-c1ccc(I)cc1)c1c(F)cccc1FMolecular Processing
Molecular formula
C16H10F2IN3O
Molecular weight
425.18
Exact mass
424.9837
XLogP
4.21
TPSA
57.78
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0
Molar refractivity
91.05
Supplementary Information
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