SMILES:
COC(=O)C(Cc1ccc(-c2ccccc2Oc2ccccc2)cc1)NC(=O)c1cc(Br)ccc1OMolecular Processing
Molecular formula
C29H24BrNO5
Molecular weight
546.42
Exact mass
545.0838
XLogP
6.13
TPSA
84.86
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
36
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.103
Molar refractivity
141.17
Supplementary Information
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