Name: 1-[1-(6-chloro-3-pyridazinyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethanone
SMILES:
CC(=O)c1c(C)nn(-c2ccc(Cl)nn2)c1OMolecular Processing
Molecular formula
C10H9ClN4O2
Molecular weight
252.66
Exact mass
252.0414
XLogP
1.53
TPSA
80.9
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
60.57
Supplementary Information
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