الاسم: benzyl 7-amino-3-trifluoromethylsulfonyloxy-1-carba-3-cephem-4-carboxylate
SMILES:
NC1C(=O)N2C(C(=O)OCc3ccccc3)=C(OS(=O)(=O)C(F)(F)F)CC[C@H]12Molecular Processing
Molecular formula
C16H15F3N2O6S
Molecular weight
420.37
Exact mass
420.0603
XLogP
1.14
TPSA
116
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
87.17
Supplementary Information
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