CN1CCC(C(=O)OC(C)(C)C)=Cc2cc(Br)ccc21
SMILES: CN1CCC(C(=O)OC(C)(C)C)=Cc2cc(Br)ccc21

Molecular Processing

Molecular formula
C16H20BrNO2
Molecular weight
338.25
Exact mass
337.0677
XLogP
4.01
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
85.85

Supplementary Information

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