| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:46:42 UTC |
|---|
| Update Date | 2025-03-25 00:48:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02170903 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H4Cl3N3 |
|---|
| Molecular Mass | 258.9471 |
|---|
| SMILES | CNc1c(Cl)c(Cl)c(C#N)c(Cl)c1C#N |
|---|
| InChI Key | SNEFUNCZVQUSKN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzonitriles |
|---|
| Direct Parent | benzonitriles |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aryl chlorideschlorobenzeneshydrocarbon derivativesnitrilesorganochloridesorganopnictogen compoundsphenylalkylaminessecondary alkylarylamines |
|---|
| Substituents | aryl chloridechlorobenzenenitrileorganochloridesecondary amineorganohalogen compoundbenzonitrilesecondary aliphatic/aromatic aminearyl halidearomatic homomonocyclic compoundorganonitrogen compoundorganopnictogen compoundphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundhalobenzeneaminecarbonitrile |
|---|
