16-Methyl-19-propan-2-yl-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5,7,9,12-hexaene
PubChem CID: 5317308
Connections displayed (default: 10).
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| Topological Polar Surface Area | 25.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 490.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 16-methyl-19-propan-2-yl-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5,7,9,12-hexaene |
| Prediction Hob | 1.0 |
| Xlogp | 5.9 |
| Molecular Formula | C22H25NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | RWXJTTWAZYKEKZ-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -2.301 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.119 |
| Compound Name | 16-Methyl-19-propan-2-yl-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5,7,9,12-hexaene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 319.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 319.194 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 319.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.853510933333333 |
| Inchi | InChI=1S/C22H25NO/c1-13(2)14-10-11-22(3)12-17(14)20-19(24-22)9-8-16-15-6-4-5-7-18(15)23-21(16)20/h4-9,13-14,17,23H,10-12H2,1-3H3 |
| Smiles | CC(C)C1CCC2(CC1C3=C(O2)C=CC4=C3NC5=CC=CC=C45)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients