COc1ccc(C(=O)NC(CO)CO)cc1C=Cc1ccc(Br)cc1
SMILES: COc1ccc(C(=O)NC(CO)CO)cc1C=Cc1ccc(Br)cc1

Molecular Processing

Molecular formula
C19H20BrNO4
Molecular weight
406.28
Exact mass
405.0576
XLogP
2.71
TPSA
78.79
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
101.49

Supplementary Information

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