15-Methoxy-4-oxa-9-azatetracyclo[7.7.0.01,12.02,6]hexadeca-2(6),12,14-trien-3-one
PubChem CID: 5315985
Connections displayed (default: 10).
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| Topological Polar Surface Area | 38.8 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 558.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 15-methoxy-4-oxa-9-azatetracyclo[7.7.0.01,12.02,6]hexadeca-2(6),12,14-trien-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.4 |
| Molecular Formula | C15H17NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IMGJFYMIRXWOKA-UHFFFAOYSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -2.052 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.394 |
| Compound Name | 15-Methoxy-4-oxa-9-azatetracyclo[7.7.0.01,12.02,6]hexadeca-2(6),12,14-trien-3-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 259.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 259.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 259.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6525909999999995 |
| Inchi | InChI=1S/C15H17NO3/c1-18-12-3-2-11-5-7-16-6-4-10-9-19-14(17)13(10)15(11,16)8-12/h2-3H,4-9H2,1H3 |
| Smiles | COC1=CC=C2CCN3C2(C1)C4=C(CC3)COC4=O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cocculus Laurifolius (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cocculus Trilobus (Plant) Rel Props:Source_db:cmaup_ingredients