Diazepine
PubChem CID: 166734
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| Compound Synonyms | Diazepine, 12688-68-5, DTXSID80155320, 1,2-Diazepine, 1H-1,2-Diazepine, diazepines, 291-78-1, DTXCID4077811, CHEBI:47918, LRANPJDWHYRCER-UHFFFAOYSA-N, Q13423008 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 24.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCCC1 |
| Deep Smiles | C=CC=CC=NN7 |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Diazepines |
| Scaffold Graph Node Level | C1CCNNCC1 |
| Classyfire Subclass | 1,2-diazepines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 122.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1H-diazepine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H6N2 |
| Scaffold Graph Node Bond Level | C1=CC=NNC=C1 |
| Inchi Key | LRANPJDWHYRCER-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | diazepine |
| Esol Class | Very soluble |
| Functional Groups | C1=CC=NNC=C1 |
| Compound Name | Diazepine |
| Exact Mass | 94.0531 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 94.0531 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 94.11 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H6N2/c1-2-4-6-7-5-3-1/h1-6H |
| Smiles | C1=CC=NNC=C1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
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