SMILES:
CON=C(C(=O)OC)c1ccccc1Oc1cccc(CBr)c1Molecular Processing
Molecular formula
C17H16BrNO4
Molecular weight
378.22
Exact mass
377.0263
XLogP
3.9
TPSA
57.12
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
91.15
Supplementary Information
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