8,13,16,20,20-Pentamethyl-15-oxa-4-azahexacyclo[14.4.1.02,14.03,11.05,10.019,21]henicosa-2(14),3(11),5(10),6,8,12-hexaene
PubChem CID: 5315354
Connections displayed (default: 10).
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| Topological Polar Surface Area | 25.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 615.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8,13,16,20,20-pentamethyl-15-oxa-4-azahexacyclo[14.4.1.02,14.03,11.05,10.019,21]henicosa-2(14),3(11),5(10),6,8,12-hexaene |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Molecular Formula | C24H27NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | UAEHAKMCIFYYGZ-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -6.906 |
| Rotatable Bond Count | 0.0 |
| Logd | 5.227 |
| Compound Name | 8,13,16,20,20-Pentamethyl-15-oxa-4-azahexacyclo[14.4.1.02,14.03,11.05,10.019,21]henicosa-2(14),3(11),5(10),6,8,12-hexaene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 345.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 345.209 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 345.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.2139132 |
| Inchi | InChI=1S/C24H27NO/c1-12-6-7-17-14(10-12)15-11-13(2)22-18(21(15)25-17)20-19-16(23(20,3)4)8-9-24(19,5)26-22/h6-7,10-11,16,19-20,25H,8-9H2,1-5H3 |
| Smiles | CC1=CC2=C(C=C1)NC3=C2C=C(C4=C3C5C6C(C5(C)C)CCC6(O4)C)C |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients