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

Molecular Processing

Molecular formula
C14H13N3O5S
Molecular weight
335.34
Exact mass
335.0576
XLogP
0.76
TPSA
115.77
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
82.04

Supplementary Information

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