이름: 7-benzamido-2-bromo-3-bromomethyl-3-cephem-4-carboxylic acid-1-oxide
SMILES:
O=C(O)C1=C(CBr)C(Br)S(=O)[C@@H]2C(NC(=O)c3ccccc3)C(=O)N12Molecular Processing
Molecular formula
C15H12Br2N2O5S
Molecular weight
492.15
Exact mass
489.8834
XLogP
1.17
TPSA
103.78
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
3
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
97.64
Supplementary Information
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