이름: 4-nitrobenzyl 7-(2-phenylacetamido)-3-hydroxy-3-cephem-4-carboxylate
SMILES:
O=C(Cc1ccccc1)NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(O)CS[C@H]12Molecular Processing
Molecular formula
C22H19N3O7S
Molecular weight
469.48
Exact mass
469.0944
XLogP
2.05
TPSA
139.08
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
117.72
Supplementary Information
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