名称: p-nitrobenzyl 7-{2-(2-formamido-4-thiazolyl)-2-methoxyiminoacetamido}-3-cephem-4-carboxylate
SMILES:
CON=C(C(=O)NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CCS[C@H]12)c1csc(NC=O)n1Molecular Processing
Molecular formula
C21H18N6O8S2
Molecular weight
546.54
Exact mass
546.0628
XLogP
1
TPSA
182.43
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
10
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
131.34
Supplementary Information
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