名称: 4-nitrobenzyl 7-[2-(2-formamidothiazol-4-yl)-2-n-hexyloxyiminoacetamido]-3-chloro-3-cephem-4-carboxylate
SMILES:
CCCCCCON=C(C(=O)NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(Cl)CS[C@H]12)c1csc(NC=O)n1Molecular Processing
Molecular formula
C26H27ClN6O8S2
Molecular weight
651.12
Exact mass
650.102
XLogP
3.51
TPSA
182.43
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
15
Heavy atoms
43
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
159.23
Supplementary Information
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