N,N-Dimethyl-N-octadecylbenzenemethanaminium chloride (Predicted)
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Basic Info
| FADB-China ID | P2630 |
| Molecular Name | N,N-Dimethyl-N-octadecylbenzenemethanaminium chloride |
| Basis for prediction | Benzalkonium bromide |
| Similarity (based on Tanimoto coefficient and ECFP6 fingerprint) | 0.8495 |
| Similarity (based on Tanimoto coefficient and Daylight fingerprint) | 1.0000 |
| Similarity (based on MCS) | 0.7333 |
| 2D Structure | |
| SMILES | CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-] |
| 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 | ToxCast & Tox21 Chemicals |
| PubChem Link | URL Link |