名称: benzhydryl 7-amino-3-chloromethyl-3-cephem-4-carboxylate
SMILES:
NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CCl)CS[C@H]12Molecular Processing
Molecular formula
C21H19ClN2O3S
Molecular weight
414.91
Exact mass
414.0805
XLogP
3.05
TPSA
72.63
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
109.63
Supplementary Information
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