1-NAPHTHYLISOTHIOCYANATE Next Previous

ChEMBL ID CHEMBL1381098
PubChem CID 11080
DrugBank Accession Number
ClinicalTrials 1-NAPHTHYLISOTHIOCYANATE
Molecular Formula C11H7NS
Inchikey JBDOSUUXMYMWQH-UHFFFAOYSA-N

Smiles
S=C=Nc1cccc2ccccc12

Synonyms
1-Naphthylisothiocyanate, 1-Naphthyl Isothiocyanate, Napthylisothiocyanate

Libraries
O'Brien

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts None
Passes of Rule of 3
Rule of 5 Violations 0
Molecular Species NEUTRAL
Molecular Properties
Molecular Weight 185.25
Rotatable Bonds 1
Acidic pKa (ACD) -
Basic pKa (ACD) -
LogP (ACD) -
LogD (ACD) -
ALogP 3.57
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