DIBUTYL PHTHALATE Next Previous

ChEMBL ID CHEMBL272485
PubChem CID 3026
DrugBank Accession Number DB13716
ClinicalTrials DIBUTYL PHTHALATE
Molecular Formula C16H22O4
Inchikey DOIRQSBPFJWKBE-UHFFFAOYSA-N
Cas Number 84-74-2

Smiles
CCCCOC(=O)c1ccccc1C(=O)OCCCC

Synonyms
DIBUTYLPHTHALATE, DIBUTYL PHTHALATE

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 8
Acidic pKa (ACD) -
Basic pKa (ACD) -
LogP (ACD) -
LogD (ACD) -
ALogP 3.6
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