Nombre: 6-bromo-2-methoxycarbonylmethyl-N-ethoxalyltetrahydroquinoline
SMILES:
CCOC(=O)C(=O)N1C2=CC=C(Br)CC2CCC1CC(=O)OCMolecular Processing
Molecular formula
C16H20BrNO5
Molecular weight
386.24
Exact mass
385.0525
XLogP
2.29
TPSA
72.91
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
23
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
86.33
Supplementary Information
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