SMILES:
C[NH+]1C=CN(C(C)(C)C(=O)c2ccccc2)C1.[Br-]Molecular Processing
Molecular formula
C14H19BrN2O
Molecular weight
311.22
Exact mass
310.0681
XLogP
-2.09
TPSA
24.75
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.357
Molar refractivity
67.58
Supplementary Information
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