이름: 3-benzylthio-7β-phenoxyacetylamino-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(SCc3ccccc3)CS[C@H]12Molecular Processing
Molecular formula
C29H25N3O7S2
Molecular weight
591.67
Exact mass
591.1134
XLogP
4.26
TPSA
128.08
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
41
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.207
Molar refractivity
154.62
Supplementary Information
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