LigandBoxID:D07629

NAME:Cefacetrile;Cephacetrile;Vetrimast [veterinary]
SMILES: N#CCC(NC1C(n2c1scc(c2C(=O)O)COC(=O)C)=O)=O

2D 3D


select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D07629

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C13H12N3O6S 338.319 -1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
7 2 2.4260 -5.2020
LOGS AGGREGATOR_PROBABILITY CARCINOGENICITY_FN CARCINOGENICITY_FN_AD
0.336021996E+01 0.101373353E-04 - 2.2372

Links to the same SMILES compounds

LIGANDBOX C12691 D01262
PUBCHEM 13035349 23662389 23668837 23692861 31726
44146850 54282755 91562

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