이름: cefsulodin
SMILES:
NC(=O)c1cc[n+](CC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)C(c4ccccc4)S(=O)(=O)O)[C@H]3SC2)cc1Molecular Processing
Molecular formula
C22H21N4O8S2+
Molecular weight
533.56
Exact mass
533.0795
XLogP
-0.56
TPSA
188.05
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
36
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
1
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
125.57
Supplementary Information
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