이름: 2,2,2-trichloroethyl 2-methyl-7-(2-methoxyimino-3-oxo-4-bromobutyramido)-3-cephem-4-carboxylate
SMILES:
CON=C(C(=O)CBr)C(=O)NC1C(=O)N2C(C(=O)OCC(Cl)(Cl)Cl)=CC(C)S[C@H]12Molecular Processing
Molecular formula
C15H15BrCl3N3O6S
Molecular weight
551.63
Exact mass
548.8931
XLogP
1.54
TPSA
114.37
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
29
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
112.19
Supplementary Information
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