Название: 6,6-dibromopenicillanic acid 1,1-dioxide
SMILES:
CC1(C)[C@H](C(=O)O)N2C(=O)C(Br)(Br)[C@H]2S1(=O)=OMolecular Processing
Molecular formula
C8H9Br2NO5S
Molecular weight
391.04
Exact mass
388.8568
XLogP
0.3
TPSA
91.75
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
65.64
Supplementary Information
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