SMILES:
O=C(O)[C@@H]1CSC(c2ccccc2O)N1C(=O)CCBrMolecular Processing
Molecular formula
C13H14BrNO4S
Molecular weight
360.23
Exact mass
358.9827
XLogP
2.2
TPSA
77.84
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
79.99
Supplementary Information
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