SMILES:
CCc1c(Oc2cc(C)cc(C)c2)n(Cc2cccc(Br)n2)c(=O)[nH]c1=OMolecular Processing
Molecular formula
C20H20BrN3O3
Molecular weight
430.3
Exact mass
429.0688
XLogP
3.71
TPSA
76.98
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
107.73
Supplementary Information
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