13,13,15-Trideuterio-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-one
PubChem CID: 10446822
Connections displayed (default: 10).
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| Topological Polar Surface Area | 38.8 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 3.0 |
| Molecular Complexity | 477.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 13,13,15-trideuterio-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C17H19NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QENVUHCAYXAROT-MCVKWTAESA-N |
| Fcsp3 | 0.4705882352941176 |
| Logs | -3.193 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.435 |
| Compound Name | 13,13,15-Trideuterio-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 288.155 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.155 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 288.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8757686644993714 |
| Inchi | InChI=1S/C17H19NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,14H,7-10H2,1-2H3/i5D,9D2 |
| Smiles | [2H]C1=CC23CCN(CC4=C2C(=C(C=C4)OC)OC3C(C1=O)([2H])[2H])C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Galanthus Nivalis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Lycoris Guangxiensis (Plant) Rel Props:Source_db:cmaup_ingredients