5-methoxy-2-prop-1-en-2-yl-2,11-dihydro-1H-furo[2,3-c]acridin-6-one
PubChem CID: 6325932
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| Topological Polar Surface Area | 47.6 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 505.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methoxy-2-prop-1-en-2-yl-2,11-dihydro-1H-furo[2,3-c]acridin-6-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Is Pains | False |
| Molecular Formula | C19H17NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XLJIVSQVTJIUQW-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 5-methoxy-2-prop-1-en-2-yl-2,11-dihydro-1H-furo[2,3-c]acridin-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 307.121 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 307.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 307.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.516398582608696 |
| Inchi | InChI=1S/C19H17NO3/c1-10(2)14-8-12-15(23-14)9-16(22-3)17-18(12)20-13-7-5-4-6-11(13)19(17)21/h4-7,9,14H,1,8H2,2-3H3,(H,20,21) |
| Smiles | CC(=C)C1CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ruta Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients