SMILES:
O=c1[nH]c(=O)n(C2OC(CO)C(OCc3ccccc3)C2(O)Cc2ccccc2)cc1BrMolecular Processing
Molecular formula
C23H23BrN2O6
Molecular weight
503.35
Exact mass
502.0739
XLogP
1.75
TPSA
113.78
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
120.13
Supplementary Information
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