C=C1CS[C@@H]2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)OCc1ccc([N+](=O)[O-])cc1
이름: p-nitrobenzyl 7-phenylacetamido-3-methylenecepham-4-carboxylate
SMILES: C=C1CS[C@@H]2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)OCc1ccc([N+](=O)[O-])cc1

Molecular Processing

Molecular formula
C23H21N3O6S
Molecular weight
467.5
Exact mass
467.1151
XLogP
2.21
TPSA
118.85
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
120.99

Supplementary Information

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