Benzo(c)phenanthridine
PubChem CID: 344234
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| Compound Synonyms | Benzo[c]phenanthridine, 218-38-2, benzo(c)phenanthridine, 5-Azachrysene, DTXSID30322343, NSC401029, Benzo (c) Phenanthridine, SCHEMBL241747, DTXCID30273462, XPDJLGHACUMTKU-UHFFFAOYSA-N, NSC-401029, DB-009533 |
|---|---|
| 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)CCC1C3CCCCC3CCC21 |
| Np Classifier Class | Phenanthrenes |
| Deep Smiles | cccccc6)cncc6cccc6cccc6 |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)CNC1C3CCCCC3CCC21 |
| Classyfire Subclass | Benzoquinolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 300.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | benzo[c]phenanthridine |
| Class | Quinolines and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 4.7 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Benzoquinolines |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H11N |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)cnc1c3ccccc3ccc21 |
| Inchi Key | XPDJLGHACUMTKU-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | Benzo(c)phenanthridine, benzo (c) phenanthridine |
| Esol Class | Moderately soluble |
| Functional Groups | cnc |
| Compound Name | Benzo(c)phenanthridine |
| Kingdom | Organic compounds |
| 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 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H11N/c1-4-8-15-12(5-1)9-10-16-14-7-3-2-6-13(14)11-18-17(15)16/h1-11H |
| Smiles | C1=CC=C2C(=C1)C=CC3=C2N=CC4=CC=CC=C34 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Phenanthridines and derivatives |
| Np Classifier Superclass | Phenanthrenoids |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Reference:ISBN:9788171360536