CCCON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1csc(NC=O)n1
名称: 7-[2-(2-formamidothiazol-4-yl)-2-n-propoxyiminoacetamido]-3-chloro-3-cephem-4-carboxylic acid
SMILES: CCCON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1csc(NC=O)n1

Molecular Processing

Molecular formula
C16H16ClN5O6S2
Molecular weight
473.92
Exact mass
473.0231
XLogP
0.78
TPSA
150.29
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
9
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
110.12

Supplementary Information

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