Nombre: 6-bromo-2-methoxycarbonylmethyl-8-nitro-N-ethoxalyltetrahydroquinoline
SMILES:
CCOC(=O)C(=O)N1C2=C([N+](=O)[O-])C=C(Br)CC2CCC1CC(=O)OCMolecular Processing
Molecular formula
C16H19BrN2O7
Molecular weight
431.24
Exact mass
430.0376
XLogP
1.89
TPSA
116.05
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
26
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
92.27
Supplementary Information
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