이름: 7β-amino-3-[[[1-(2-dimethylaminoethyl)-1H-tetrazol-5-yl]thio]methyl]ceph-3-em-4-carboxylic acid dihydrochloride
SMILES:
CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1.Cl.ClMolecular Processing
Molecular formula
C13H21Cl2N7O3S2
Molecular weight
458.4
Exact mass
457.0524
XLogP
-0.25
TPSA
130.47
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
3
Fraction Csp3
0.615
Molar refractivity
107.32
Supplementary Information
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