3,13,13,14,17-Pentamethyl-21-oxa-12-azapentacyclo[10.7.1.12,17.05,20.06,11]henicosa-1,3,5(20),6,8,10-hexaene
PubChem CID: 5319214
Connections displayed (default: 10).
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| Topological Polar Surface Area | 14.2 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 558.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,13,13,14,17-pentamethyl-21-oxa-12-azapentacyclo[10.7.1.12,17.05,20.06,11]henicosa-1,3,5(20),6,8,10-hexaene |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Molecular Formula | C24H29NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | FHNPGGOAYJWFGH-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -7.04 |
| Rotatable Bond Count | 0.0 |
| Logd | 5.01 |
| Compound Name | 3,13,13,14,17-Pentamethyl-21-oxa-12-azapentacyclo[10.7.1.12,17.05,20.06,11]henicosa-1,3,5(20),6,8,10-hexaene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 347.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 347.225 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 347.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.2201124000000005 |
| Inchi | InChI=1S/C24H29NO/c1-15-14-19-17-8-6-7-9-20(17)25-21(19)18-11-13-24(5,26-22(15)18)12-10-16(2)23(25,3)4/h6-9,14,16H,10-13H2,1-5H3 |
| Smiles | CC1CCC2(CCC3=C(O2)C(=CC4=C3N(C1(C)C)C5=CC=CC=C54)C)C |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Euchrestifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients