SMILES:
O=C1C(N2CCOCC2)=CCCCN1c1ccc(Br)cc1Molecular Processing
Molecular formula
C16H19BrN2O2
Molecular weight
351.24
Exact mass
350.063
XLogP
2.79
TPSA
32.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
86.2
Supplementary Information
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