Budmunchiamine L4
PubChem CID: 5315523
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| Compound Synonyms | Budmunchiamine L4, CHEMBL562156, SCHEMBL6308865, 195734-28-2 |
|---|---|
| Topological Polar Surface Area | 65.2 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 392.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-tridecyl-1,5,9,13-tetrazacycloheptadecan-6-one |
| Prediction Hob | 0.0 |
| Xlogp | 6.1 |
| Molecular Formula | C26H54N4O |
| Prediction Swissadme | 0.0 |
| Inchi Key | BIJLNPCGAYTFAD-UHFFFAOYSA-N |
| Fcsp3 | 0.9615384615384616 |
| Logs | -2.481 |
| Rotatable Bond Count | 12.0 |
| Logd | 3.08 |
| Compound Name | Budmunchiamine L4 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 438.43 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 438.43 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 438.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.623819000000002 |
| Inchi | InChI=1S/C26H54N4O/c1-2-3-4-5-6-7-8-9-10-11-12-17-25-24-26(31)30-23-16-21-28-19-14-13-18-27-20-15-22-29-25/h25,27-29H,2-24H2,1H3,(H,30,31) |
| Smiles | CCCCCCCCCCCCCC1CC(=O)NCCCNCCCCNCCCN1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Albizia Adinocephala (Plant) Rel Props:Source_db:npass_chem_all