Benzophenanthridine
PubChem CID: 12407248
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| Compound Synonyms | Benzophenanthridine, Benzo[k]phenanthridine, SCHEMBL159417 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CCC1CCC3CCCCC3C12 |
| Deep Smiles | cccccc6)cccc6cccccc6nc%10 |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)CCC1CNC3CCCCC3C12 |
| Classyfire Subclass | Benzoquinolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 300.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | benzo[k]phenanthridine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 4.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H11N |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)ccc1cnc3ccccc3c12 |
| Inchi Key | OWUNMSGLMUPGEZ-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | benzophenanthridine |
| Esol Class | Moderately soluble |
| Functional Groups | cnc |
| Compound Name | Benzophenanthridine |
| Exact Mass | 229.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 229.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 229.27 |
| 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/C17H11N/c1-2-6-14-12(5-1)9-10-13-11-18-16-8-4-3-7-15(16)17(13)14/h1-11H |
| Smiles | C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4N=C3 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Argemone Mexicana (Plant) Rel Props:Reference:ISBN:9788172360481