(Z,18R)-tricos-16-en-2,4-diyne-1,18-diol
PubChem CID: 162850476
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 438.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (Z,18R)-tricos-16-en-2,4-diyne-1,18-diol |
| Prediction Hob | 0.0 |
| Xlogp | 7.2 |
| Molecular Formula | C23H38O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AHAVQGWVJACJDF-WGJMRCBWSA-N |
| Fcsp3 | 0.7391304347826086 |
| Logs | -4.666 |
| Rotatable Bond Count | 16.0 |
| Logd | 3.827 |
| Compound Name | (Z,18R)-tricos-16-en-2,4-diyne-1,18-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 346.287 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 346.287 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 346.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.566141 |
| Inchi | InChI=1S/C23H38O2/c1-2-3-17-20-23(25)21-18-15-13-11-9-7-5-4-6-8-10-12-14-16-19-22-24/h18,21,23-25H,2-11,13,15,17,20,22H2,1H3/b21-18-/t23-/m1/s1 |
| Smiles | CCCCC[C@H](/C=C\CCCCCCCCCCC#CC#CCO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stephania Pierrei (Plant) Rel Props:Source_db:cmaup_ingredients