الاسم: ( 861 )
SMILES:
COc1cc(Br)c2oc3cc(-c4ccccc4Cl)c4c(c3c2c1)C(=O)NC4=OMolecular Processing
Molecular formula
C21H11BrClNO4
Molecular weight
456.68
Exact mass
454.956
XLogP
5.56
TPSA
68.54
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
28
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.048
Molar refractivity
110.21
Supplementary Information
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