CC(C)CN1C(=O)C(=CC(=N1)C2=C(C=C(C=C2)F)F)CO
Название: 6-(2,4-difluorophenyl)-4-(hydroxymethyl)-2-(2-methylpropyl)pyridazin-3-one
SMILES: CC(C)CN1C(=O)C(=CC(=N1)C2=C(C=C(C=C2)F)F)CO

Molecular 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

InChIKey: VPDMZRRTEJYILY-UHFFFAOYSA-N
Синонимы
SCHEMBL1925594VPDMZRRTEJYILY-UHFFFAOYSA-N6-(2,4-difluorophenyl)-4-hydroxymethyl-2-isobutyl-2H-py ridazin-3-one6-(2,4-difluorophenyl)-4-hydroxymethyl-2-isobutyl-2H-pyridazin-3-one
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