Name: 6-tert-butyl-2-[3-chloro-2-(hydroxymethyl)phenyl]-8-fluorophthalazin-1(2H)-one
SMILES:
CC(C)(C)c1cc(F)c2c(=O)n(-c3cccc(Cl)c3CO)ncc2c1Molecular Processing
Molecular formula
C19H18ClFN2O2
Molecular weight
360.82
Exact mass
360.1041
XLogP
3.97
TPSA
55.12
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
96.93
Supplementary Information
Details werden geladen…
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