CEPHALOSPORIN

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Synonyms
Status
Molecule Category Free-form

Structure

InChI Key JGKXEMYIHDYWCZ-JFUSQASVSA-N
Smiles C=C1CS[C@H]([C@H](NC(=O)CCCC[C@@H](N)C(=O)O)C(=O)O)N=C1C(=O)O
InChI
InChI=1S/C15H21N3O7S/c1-7-6-26-12(18-10(7)14(22)23)11(15(24)25)17-9(19)5-3-2-4-8(16)13(20)21/h8,11-12H,1-6,16H2,(H,17,19)(H,20,21)(H,22,23)(H,24,25)/t8-,11+,12-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H21N3O7S
Molecular Weight 387.41
AlogP -0.32
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 10.0
Polar Surface Area 179.38
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 26.0

Cross References

Resources Reference
ChEMBL CHEMBL1235646
PDB REC
ZINC ZINC000058651052
CONTENTS