Name: 2,2,2-trichloroethyl 2-methyl-7-[2-methoxyimino-2-(2-aminothiazol-4-yl)acetamido]-3-cephem-4-carboxylate
SMILES:
CON=C(C(=O)NC1C(=O)N2C(C(=O)OCC(Cl)(Cl)Cl)=CC(C)S[C@H]12)c1csc(N)n1Molecular Processing
Molecular formula
C16H16Cl3N5O5S2
Molecular weight
528.83
Exact mass
526.9658
XLogP
1.66
TPSA
136.21
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
119.02
Supplementary Information
Details werden geladen…
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