Name: 6-(3,4-difluorophenyl)-4-hydroxymethyl-2-isobutyl-2H-pyridazin-3-one
SMILES:
CC(C)Cn1nc(-c2ccc(F)c(F)c2)cc(CO)c1=OMolecular Processing
Molecular formula
C15H16F2N2O2
Molecular weight
294.3
Exact mass
294.118
XLogP
2.34
TPSA
55.12
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
74.61
Supplementary Information
Details werden geladen…
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