Di-isobutyl phthalate Next Previous

ChEMBL ID CHEMBL1370662
PubChem CID 6782
DrugBank Accession Number
ClinicalTrials Di-isobutyl phthalate
Molecular Formula C16H22O4
Inchikey MGWAVDBGNNKXQV-UHFFFAOYSA-N
Cas Number 84-69-5

Smiles
CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts None
Passes of Rule of 3
Rule of 5 Violations 0
Molecular Species
Molecular Properties
Molecular Weight 278.35
Rotatable Bonds 6
Acidic pKa (ACD) -
Basic pKa (ACD) -
LogP (ACD) -
LogD (ACD) -
ALogP 3.31
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