SMILES:
CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(Br)cc2)o1Molecular Processing
Molecular formula
C18H21BrN2O3
Molecular weight
393.28
Exact mass
392.0736
XLogP
5.18
TPSA
55.57
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
94.55
Supplementary Information
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