3,5-Dinitrotoluene (Predicted)
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Basic Info
| FADB-China ID | P2510 |
| Molecular Name | 3,5-Dinitrotoluene |
| Basis for prediction | 2,4-dinitrophenol |
| Similarity (based on Tanimoto coefficient and ECFP6 fingerprint) | 0.5250 |
| Similarity (based on Tanimoto coefficient and Daylight fingerprint) | 0.5760 |
| Similarity (based on MCS) | 0.8571 |
| 2D Structure | |
| SMILES | Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 |
| 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 | IARC Carcinogens Group 3 |
| PubChem Link | URL Link |