SMILES:
O=C(O)CCc1cc(Br)c(OC(=O)c2c3ccccc3nc3ccccc23)c(Br)c1Molecular Processing
Molecular formula
C23H15Br2NO4
Molecular weight
529.18
Exact mass
526.9368
XLogP
6.15
TPSA
76.49
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.087
Molar refractivity
122.01
Supplementary Information
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