名称: t-butyl 7-formamido-3-methyl-3-cephem-4-carboxylate-1-oxide
SMILES:
CC1=C(C(=O)OC(C)(C)C)N2C(=O)C(NC=O)[C@H]2S(=O)C1Molecular Processing
Molecular formula
C13H18N2O5S
Molecular weight
314.36
Exact mass
314.0936
XLogP
-0.35
TPSA
92.78
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
75.18
Supplementary Information
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