Methylium, tris[4-(diethylamino)phenyl]-, acetate (Predicted)
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Basic Info
| FADB-China ID | P1855 |
| Molecular Name | Methylium, tris[4-(diethylamino)phenyl]-, acetate |
| Basis for prediction | Malachite green |
| Similarity (based on Tanimoto coefficient and ECFP6 fingerprint) | 0.5534 |
| Similarity (based on Tanimoto coefficient and Daylight fingerprint) | 0.8840 |
| Similarity (based on MCS) | 0.6410 |
| 2D Structure | |
| SMILES | CC(=O)[O-].CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(N(CC)CC)cc2)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 | HPV EPA Chemicals |
| PubChem Link | URL Link |