Nombre: mixture
SMILES:
COC(=O)c1c(C=O)c2c(Br)cccc2n1CCCOc1cccc2ccccc12Molecular Processing
Molecular formula
C24H20BrNO4
Molecular weight
466.33
Exact mass
465.0576
XLogP
5.63
TPSA
57.53
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
120.42
Supplementary Information
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