Name: 3-Bromo-5-(4-fluorophenyl)-4-(pyridin-4-yl)pyrazole
SMILES:
Fc1ccc(-c2[nH]nc(Br)c2-c2ccncc2)cc1Molecular Processing
Molecular formula
C14H9BrFN3
Molecular weight
318.15
Exact mass
316.9964
XLogP
4.04
TPSA
41.57
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
74.91
Supplementary Information
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