SMILES:
Fc1cc2nc(-c3ccc(Cl)cc3)n(C(CBr)C3CCCCC3)c2cc1FMolecular Processing
Molecular formula
C21H20BrClF2N2
Molecular weight
453.76
Exact mass
452.0466
XLogP
7.15
TPSA
17.82
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
109.5
Supplementary Information
Details werden geladen…
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