NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(O)CS[C@H]12
名称: 4-nitrobenzyl 7-amino-3-hydroxy-3-cephem-4-carboxylate
SMILES: NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(O)CS[C@H]12

Molecular Processing

Molecular formula
C14H13N3O6S
Molecular weight
351.34
Exact mass
351.0525
XLogP
0.65
TPSA
136
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
83.61

Supplementary Information

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