名称: sodium 3-acetoxymethyl-7-[2-(2-amino-4-thiazolyl)-2-methoxyimino-acetamido]-ceph-3-eme-4-carboxylate
SMILES:
CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12)c1csc(N)n1.[Na+]Molecular Processing
Molecular formula
C16H16N5NaO7S2
Molecular weight
477.46
Exact mass
477.0389
XLogP
-4.95
TPSA
176.34
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
7
Heavy atoms
31
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
15
Covalent units
2
Fraction Csp3
0.375
Molar refractivity
103.76
Supplementary Information
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