Name: 7β-phenoxyacetamido-3-hydroxy-3-cephem-4-carboxylic acid p-nitrobenzyl ester
SMILES:
O=C(COc1ccccc1)N[C@@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(O)CS[C@H]12Molecular Processing
Molecular formula
C22H19N3O8S
Molecular weight
485.47
Exact mass
485.0893
XLogP
1.89
TPSA
148.31
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
119.51
Supplementary Information
Details werden geladen…
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