الاسم: 7β-formamido-3-[N,N-dimethyl-N-{(5-hydroxy-4-oxo-1,4-dihydropyridin-2-yl)methyl}ammonio]methyl-3-cephem-4-carboxylate
SMILES:
C[N+](C)(CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC=O)[C@H]2SC1)Cc1cc(=O)c(O)c[nH]1Molecular Processing
Molecular formula
C17H20N4O6S
Molecular weight
408.44
Exact mass
408.1104
XLogP
-2.31
TPSA
142.63
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
97.52
Supplementary Information
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