SMILES:
CCCCOc1ccc(C[C@@H]2CNCCO2)cc1BrMolecular Processing
Molecular formula
C15H22BrNO2
Molecular weight
328.25
Exact mass
327.0834
XLogP
3.16
TPSA
30.49
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
80.86
Supplementary Information
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