O=C(O)C1=C(CBr)CS(=O)[C@@H]2C(NC(=O)c3ccccc3)C(=O)N12
SMILES: O=C(O)C1=C(CBr)CS(=O)[C@@H]2C(NC(=O)c3ccccc3)C(=O)N12

Molecular Processing

Molecular formula
C15H13BrN2O5S
Molecular weight
413.25
Exact mass
411.9729
XLogP
0.45
TPSA
103.78
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
89.8

Supplementary Information

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