Heptyl 4-hydroxybenzoate (Predicted)
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Basic Info
| FADB-China ID | P1207 |
| Molecular Name | Heptyl 4-hydroxybenzoate |
| Basis for prediction | Butyl p-hydroxybenzoate |
| Similarity (based on Tanimoto coefficient and ECFP6 fingerprint) | 0.8302 |
| Similarity (based on Tanimoto coefficient and Daylight fingerprint) | 0.9318 |
| Similarity (based on MCS) | 0.8235 |
| 2D Structure | |
| SMILES | CCCCCCCOC(=O)c1ccc(O)cc1 |
| 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 | ToxinDB, T3DB, ToxCast & Tox21 Chemicals |
| PubChem Link | URL Link |