SMILES:
COC(=O)c1cn(Cc2cccnc2)c(=O)c(F)c1Nc1ccc(Br)cc1FMolecular Processing
Molecular formula
C19H14BrF2N3O3
Molecular weight
450.24
Exact mass
449.0187
XLogP
3.86
TPSA
73.22
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.105
Molar refractivity
102.72
Supplementary Information
Details werden geladen…
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