Name: 6-bromo-2-methoxycarbonylmethyltetrahydroquinoline
SMILES:
COC(=O)CC1CCc2cc(Br)ccc2N1Molecular Processing
Molecular formula
C12H14BrNO2
Molecular weight
284.15
Exact mass
283.0208
XLogP
2.74
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
66.51
Supplementary Information
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