Virol C
PubChem CID: 11108150
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| Compound Synonyms | Virol C, CHEMBL138587, NS00094452 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 356.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | Q9ES14 |
| Iupac Name | (E,10S)-heptadec-8-en-4,6-diyne-1,10-diol |
| Prediction Hob | 0.0 |
| Xlogp | 4.2 |
| Molecular Formula | C17H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XOENZUAFVYYLIG-VMEIHUARSA-N |
| Fcsp3 | 0.6470588235294118 |
| Logs | -4.357 |
| Rotatable Bond Count | 10.0 |
| Logd | 3.071 |
| Compound Name | Virol C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 262.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 262.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.5377365999999997 |
| Inchi | InChI=1S/C17H26O2/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18/h12,15,17-19H,2-4,8,10-11,13-14,16H2,1H3/b15-12+/t17-/m0/s1 |
| Smiles | CCCCCCC[C@@H](/C=C/C#CC#CCCCO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cicuta Virosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all