CCOC(=O)C1CCN(c2ccc(Br)cc2)CC1
SMILES: CCOC(=O)C1CCN(c2ccc(Br)cc2)CC1

Molecular Processing

Molecular formula
C14H18BrNO2
Molecular weight
312.21
Exact mass
311.0521
XLogP
3.23
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
75.71

Supplementary Information

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