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ChEMBL ID CHEMBL857
PubChem CID 171548
DrugBank Accession Number DB00121
ClinicalTrials BIOTIN
Molecular Formula C10H16N2O3S
Inchikey YBJHBAHKTGYVGT-ZKWXMUAHSA-N
Cas Number 58-85-5

Smiles
O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12

Synonyms
Bioepiderm, Biotin, BIOTIN, Biotin 100, MD-1003, NSC-63865, Vitamin H

Libraries
O'Brien, ScreenWell

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts None
Passes of Rule of 3
Rule of 5 Violations 0
Molecular Species ACID
Molecular Properties
Molecular Weight 244.32
Rotatable Bonds 5
Acidic pKa (ACD) -
Basic pKa (ACD) -
LogP (ACD) -
LogD (ACD) -
ALogP 0.8
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