الاسم: p-nitrobenzyl 7-[2-(2-thienyl)acetamido]-3-hydroxy-3-cephem-4-carboxylate
SMILES:
O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(O)CS[C@H]12Molecular Processing
Molecular formula
C20H17N3O7S2
Molecular weight
475.5
Exact mass
475.0508
XLogP
2.11
TPSA
139.08
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
115.59
Supplementary Information
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