SMILES:
Fc1cc(Br)cc(N2CCN(C3CC3)CC2)c1Molecular Processing
Molecular formula
C13H16BrFN2
Molecular weight
299.19
Exact mass
298.0481
XLogP
2.87
TPSA
6.48
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
70.91
Supplementary Information
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