2-Methoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-1-one
PubChem CID: 9951229
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| Topological Polar Surface Area | 48.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 694.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-1-one, hydrochloride |
| Prediction Hob | 1.0 |
| Molecular Formula | C20H16ClNO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CUXBKFBSLWHZGW-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Logs | -4.373 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.457 |
| Compound Name | 2-Methoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-1-one, hydrochloride |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 369.077 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 369.077 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 369.8 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.296092492307692 |
| Inchi | InChI=1S/C20H15NO4.ClH/c1-21-9-15-12(5-6-16(23-2)20(15)22)13-4-3-11-7-17-18(25-10-24-17)8-14(11)19(13)21, /h3-9H,10H2,1-2H3, 1H |
| Smiles | CN1C=C2C(=CC=C(C2=O)OC)C3=C1C4=CC5=C(C=C4C=C3)OCO5.Cl |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juglans Regia (Plant) Rel Props:Source_db:cmaup_ingredients