O-Nitrotoluene (Predicted)
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Basic Info
| FADB-China ID | P2464 |
| Molecular Name | O-Nitrotoluene |
| Basis for prediction | O-nitrobenzaldehyde |
| Similarity (based on Tanimoto coefficient and ECFP6 fingerprint) | 0.6667 |
| Similarity (based on Tanimoto coefficient and Daylight fingerprint) | 0.7982 |
| Similarity (based on MCS) | 0.9091 |
| 2D Structure | |
| SMILES | Cc1ccccc1[N+](=O)[O-] |
| 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, IARC Carcinogens Group 2A, OECD HPV Chemicals, ToxCast & Tox21 Chemicals |
| PubChem Link | URL Link |