이름: 7β-Amino-3-[2-(N-carboethoxysulfamoyl)benzoyloxy]methyl-3-cephem-4-carboxylic acid
SMILES:
CCOC(=O)NS(=O)(=O)c1ccccc1C(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1Molecular Processing
Molecular formula
C18H19N3O9S2
Molecular weight
485.5
Exact mass
485.0563
XLogP
-0.14
TPSA
182.4
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
32
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
109.8
Supplementary Information
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