SMILES:
COc1ccc(C2(C)C(=O)Nc3c(Br)cc(Br)cc3C2=O)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C17H12Br2N2O5
Molecular weight
484.1
Exact mass
481.9113
XLogP
4.22
TPSA
98.54
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
101.8
Supplementary Information
Details werden geladen…
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