2-Methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-3-ol
PubChem CID: 136754389
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| Compound Synonyms | CHEMBL3597757 |
|---|---|
| Topological Polar Surface Area | 60.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 474.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C19H13NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZCMNYBNYFRAPIS-UHFFFAOYSA-N |
| Fcsp3 | 0.1052631578947368 |
| Logs | -6.483 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.516 |
| Compound Name | 2-Methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-3-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 319.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 319.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 319.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.9043592 |
| Inchi | InChI=1S/C19H13NO4/c1-22-16-5-11-8-20-19-12(13(11)6-15(16)21)3-2-10-4-17-18(7-14(10)19)24-9-23-17/h2-8,21H,9H2,1H3 |
| Smiles | COC1=C(C=C2C3=C(C4=CC5=C(C=C4C=C3)OCO5)N=CC2=C1)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stachyurus Praecox (Plant) Rel Props:Source_db:cmaup_ingredients