Название: 3-acetyloxy-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES:
CC(=O)OC1=C(C(=O)O)N2C(=O)C(N)C2SC1Molecular Processing
Molecular formula
C9H10N2O5S
Molecular weight
258.26
Exact mass
258.031
XLogP
-0.91
TPSA
109.93
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
57.5
Supplementary Information
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