이름: cefsulodin sodium
SMILES:
NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)C(c4ccccc4)S(=O)(=O)[O-])[C@H]3SC2)cc1.[Na+]Molecular Processing
Molecular formula
C22H19N4NaO8S2
Molecular weight
554.54
Exact mass
554.0542
XLogP
-5.23
TPSA
193.71
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
15
Covalent units
2
Fraction Csp3
0.227
Molar refractivity
121.09
Supplementary Information
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