SMILES:
CCN1CCc2c(Br)ccc(NC(C)=O)c2C1Molecular Processing
Molecular formula
C13H17BrN2O
Molecular weight
297.2
Exact mass
296.0524
XLogP
2.79
TPSA
32.34
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
73.1
Supplementary Information
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