Name: title compound
SMILES:
Cc1nc2ccccc2n1-c1ccc(Br)cc1Molecular Processing
Molecular formula
C14H11BrN2
Molecular weight
287.16
Exact mass
286.0106
XLogP
4.1
TPSA
17.82
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
73.51
Supplementary Information
Details werden geladen…
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