名称: 3-acetoxymethyl 7-[2-(2-amino-4-thiazolyl)-2-methoxyimino-acetamido]-ceph-3-eme-4-carboxylic acid
SMILES:
CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(N)n1Molecular Processing
Molecular formula
C16H17N5O7S2
Molecular weight
455.47
Exact mass
455.0569
XLogP
-0.62
TPSA
173.51
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
106.39
Supplementary Information
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