SMILES:
COc1cc2c3c(cccc3c1Br)C(=O)N(OCc1ccccc1)C2=OMolecular Processing
Molecular formula
C20H14BrNO4
Molecular weight
412.24
Exact mass
411.0106
XLogP
4.34
TPSA
55.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
99.93
Supplementary Information
Récupération des détails…
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