SMILES:
COC(=O)C(Br)Cc1ccc(OCC(O)c2nc(-c3ccccc3)oc2C)cc1Molecular Processing
Molecular formula
C22H22BrNO5
Molecular weight
460.32
Exact mass
459.0681
XLogP
4.24
TPSA
81.79
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
112.01
Supplementary Information
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Involved in 2 reactions→