Name: 7-Amino-3-cephem-4-carboxylic acid benzhydryl ester
SMILES:
NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=CCS[C@H]12Molecular Processing
Molecular formula
C20H18N2O3S
Molecular weight
366.44
Exact mass
366.1038
XLogP
2.45
TPSA
72.63
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
99.97
Supplementary Information
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