| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:20 UTC |
|---|
| Update Date | 2025-03-25 00:53:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02199722 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14ClN3 |
|---|
| Molecular Mass | 235.0876 |
|---|
| SMILES | N=C(N)N1CC=C(c2ccc(Cl)cc2)CC1 |
|---|
| InChI Key | QHYXXBOPUSSGCU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | halobenzenes |
|---|
| Direct Parent | chlorobenzenes |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aryl chloridesazacyclic compoundscarboximidamidesguanidineshydrocarbon derivativesiminesorganochloridesorganopnictogen compounds |
|---|
| Substituents | aryl chloridechlorobenzenearomatic heteromonocyclic compoundazacycleguanidineimineorganochloridecarboximidamideorganohalogen compoundaryl halideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compound |
|---|
