Di-isononyl phthalate Next Previous

ChEMBL ID CHEMBL1905899
PubChem CID 590836
DrugBank Accession Number
ClinicalTrials Di-isononyl phthalate
Molecular Formula C26H42O4
Inchikey HBGGXOJOCNVPFY-UHFFFAOYSA-N
Cas Number 28553-12-0

Smiles
CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts None
Passes of Rule of 3
Rule of 5 Violations 1
Molecular Species
Molecular Properties
Molecular Weight 418.62
Rotatable Bonds 16
Acidic pKa (ACD) -
Basic pKa (ACD) -
LogP (ACD) -
LogD (ACD) -
ALogP 7.21
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