名称: p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate hydrochloride
SMILES:
Cl.NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(Cl)CS[C@H]12Molecular Processing
Molecular formula
C14H13Cl2N3O5S
Molecular weight
406.25
Exact mass
404.9953
XLogP
1.75
TPSA
115.77
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.286
Molar refractivity
94.09
Supplementary Information
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