SMILES:
CN(C)CC1CCc2c(c3cc(Br)ccc3n2C)C1=O.ClMolecular Processing
Molecular formula
C16H20BrClN2O
Molecular weight
371.71
Exact mass
370.0448
XLogP
3.67
TPSA
25.24
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.438
Molar refractivity
92.56
Supplementary Information
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