DICLOXACILLIN

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Synonyms
Status
Molecule Category Free-form
ATC J01CF01
UNII COF19H7WBK
EPA CompTox DTXSID1022924

Structure

InChI Key YFAGHNZHGGCZAX-JKIFEVAISA-N
Smiles Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O
InChI
InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H17Cl2N3O5S
Molecular Weight 470.33
AlogP 3.2
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 112.74
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 30.0

Related Entries

Cross References

Resources Reference
ChEBI 4511
ChEMBL CHEMBL893
DrugBank DB00485
DrugCentral 866
FDA SRS COF19H7WBK
Human Metabolome Database HMDB0014628
KEGG C06950
PharmGKB PA164749649
PubChem 18381
SureChEMBL SCHEMBL23955
ZINC ZINC000003978006
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