이름: benzhydryl 7-phenylacetamido-3-(2,2-dichlorovinyl)-2-cephem-4-carboxylate
SMILES:
O=C(Cc1ccccc1)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)C(C=C(Cl)Cl)=CS[C@H]12Molecular Processing
Molecular formula
C30H24Cl2N2O4S
Molecular weight
579.51
Exact mass
578.0834
XLogP
5.53
TPSA
75.71
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
39
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
152.78
Supplementary Information
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