Diallyl phthalate (Predicted)

Basic Info

FADB-China IDP1322
Molecular NameDiallyl phthalate
Basis for prediction DEP
Similarity (based on Tanimoto coefficient and ECFP6 fingerprint)0.6897
Similarity (based on Tanimoto coefficient and Daylight fingerprint)0.9545
Similarity (based on MCS)0.8889
2D StructureNo image
SMILESC=CCOC(=O)c1ccccc1C(=O)OCC=C
CFM-ID 3.0 (Copy SMILES to the website's input box)URL Link
Update DateJul 30, 2019 14:16

References

TitleData Sources
Source HPV EPA Chemicals, National Health Commission of the People's Republic of China, T3DB, OECD HPV Chemicals, ToxCast & Tox21 Chemicals
PubChem LinkURL Link