Cl.Cl.Cl.Cn1c(N)cc[n+]1CC1=C(C(=O)[O-])N2C(=O)[C@@H](N)[C@H]2SC1
Name: 7β-amino-3-(3-amino-2-methyl-1-pyrazolio)methyl-3-cephem-4-carboxylate trihydrochloride
SMILES: Cl.Cl.Cl.Cn1c(N)cc[n+]1CC1=C(C(=O)[O-])N2C(=O)[C@@H](N)[C@H]2SC1

Molecular Processing

Molecular formula
C12H18Cl3N5O3S
Molecular weight
418.73
Exact mass
417.0196
XLogP
-1.59
TPSA
121.29
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
4
Fraction Csp3
0.417
Molar refractivity
94.86

Supplementary Information

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Involved in 9 reactions→

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