1,2-Benzenedicarboxylic acid, bis(2-propylheptyl) ester (Predicted)
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Basic Info
| FADB-China ID | P1299 |
| Molecular Name | 1,2-Benzenedicarboxylic acid, bis(2-propylheptyl) ester |
| Basis for prediction | DEHP |
| Similarity (based on Tanimoto coefficient and ECFP6 fingerprint) | 0.7692 |
| Similarity (based on Tanimoto coefficient and Daylight fingerprint) | 0.9882 |
| Similarity (based on MCS) | 0.8750 |
| 2D Structure | |
| SMILES | CCCCCC(CCC)COC(=O)c1ccccc1C(=O)OCC(CCC)CCCCC |
| CFM-ID 3.0 (Copy SMILES to the website's input box) | URL Link |
| Update Date | Jul 30, 2019 14:16 |
References
| Title | Data Sources |
|---|---|
| Source | , HPV EPA Chemicals, OECD HPV Chemicals |
| PubChem Link | URL Link |