SMILES:
CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCc4ccc(Br)cc4)cc3)oc12Molecular Processing
Molecular formula
C25H20BrN3O2
Molecular weight
474.36
Exact mass
473.0739
XLogP
6.18
TPSA
78.92
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.16
Molar refractivity
123.56
Supplementary Information
Details werden geladen…
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