이름: 7-benzamido-3-methyl-3-cephem-4-carboxylic acid-1-oxide
SMILES:
CC1=C(C(=O)O)N2C(=O)C(NC(=O)c3ccccc3)[C@H]2S(=O)C1Molecular Processing
Molecular formula
C15H14N2O5S
Molecular weight
334.35
Exact mass
334.0623
XLogP
0.07
TPSA
103.78
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
81.68
Supplementary Information
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