8-methoxy-3,3-dimethyl-11H-pyrano[3,2-a]carbazole
PubChem CID: 5318826
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| Topological Polar Surface Area | 34.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 433.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-methoxy-3,3-dimethyl-11H-pyrano[3,2-a]carbazole |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C18H17NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NYZYHTIXGLWAQT-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -5.935 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.358 |
| Compound Name | 8-methoxy-3,3-dimethyl-11H-pyrano[3,2-a]carbazole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 279.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 279.126 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 279.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.660397038095238 |
| Inchi | InChI=1S/C18H17NO2/c1-18(2)9-8-13-16(21-18)7-5-12-14-10-11(20-3)4-6-15(14)19-17(12)13/h4-10,19H,1-3H3 |
| Smiles | CC1(C=CC2=C(O1)C=CC3=C2NC4=C3C=C(C=C4)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Source_db:cmaup_ingredients