CC1(C)S[C@H]2N(C(=O)C2(Br)Br)[C@H]1C(=O)O
Name: 6,6-dibromopenicillanic acid
SMILES: CC1(C)S[C@H]2N(C(=O)C2(Br)Br)[C@H]1C(=O)O

Molecular Processing

Molecular formula
C8H9Br2NO3S
Molecular weight
359.04
Exact mass
356.867
XLogP
1.62
TPSA
57.61
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
64.31

Supplementary Information

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