SMILES:
COC(=O)C1CCN(c2cc(Br)cc(C#N)c2)CC1Molecular Processing
Molecular formula
C14H15BrN2O2
Molecular weight
323.19
Exact mass
322.0317
XLogP
2.71
TPSA
53.33
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
75.81
Supplementary Information
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