SMILES:
CC(C)c1cc(Oc2c(Br)cc(CC(=O)O)cc2Br)n[nH]c1=OMolecular Processing
Molecular formula
C15H14Br2N2O4
Molecular weight
446.1
Exact mass
443.932
XLogP
3.84
TPSA
92.28
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
92.2
Supplementary Information
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