CID 5281962
PubChem CID: 5281962
Connections displayed (default: 10).
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| Compound Synonyms | Tombozine, 16-Epinormacusine B, 604-99-9, CHEMBL3338256, 126640-98-0, FS-8861 |
|---|---|
| Topological Polar Surface Area | 39.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 490.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | [(1S,12S,14S,15E)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl]methanol |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C19H22N2O |
| Prediction Swissadme | 1.0 |
| Inchi Key | VXTDUGOBAOLMED-JTZQFXNDSA-N |
| Fcsp3 | 0.4736842105263157 |
| Logs | -2.672 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.797 |
| Compound Name | CID 5281962 |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 294.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.173 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 294.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.218694872727273 |
| Inchi | InChI=1S/C19H22N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,13,15,17-18,20,22H,7-10H2,1H3/b11-2-/t13-,15?,17+,18+/m1/s1 |
| Smiles | C/C=C\1/CN2[C@H]3C[C@H]1C([C@@H]2CC4=C3NC5=CC=CC=C45)CO |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alstonia Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients