Название: compound 121-E
SMILES:
COC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCBr)ccc34)ccc12Molecular Processing
Molecular formula
C22H18BrNO5
Molecular weight
456.29
Exact mass
455.0368
XLogP
5.64
TPSA
70.79
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
113.4
Supplementary Information
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