Callypentayne
PubChem CID: 10778600
Connections displayed (default: 10).
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| Compound Synonyms | callypentayne, CHEMBL448827, (12Z,18Z)-henicosa-12,18-dien-1,3,8,10,20-pentayne |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 638.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (12Z,18Z)-henicosa-12,18-dien-1,3,8,10,20-pentayne |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Molecular Formula | C21H20 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BZASOWOKZUQCSW-PICUFFSDSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -6.465 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.383 |
| Compound Name | Callypentayne |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.157 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 272.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.884624199999999 |
| Inchi | InChI=1S/C21H20/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h1-2,5,7,17,19H,9-15H2/b7-5-,19-17- |
| Smiles | C#C/C=C\CCCC/C=C\C#CC#CCCCC#CC#C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Turtschaninovii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Trichosanthes Anguina (Plant) Rel Props:Source_db:npass_chem_all