(Z)-7-Hydroxynuciferol
PubChem CID: 11218565
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| Compound Synonyms | (Z)-7-hydroxynuciferol, CHEMBL456729, (Z)-2-methyl-6-(4-methylphenyl)hept-2-ene-1,6-diol, 859501-99-8 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 252.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-2-methyl-6-(4-methylphenyl)hept-2-ene-1,6-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C15H22O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GIBUWLSTZDPUEL-ACAGNQJTSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -2.967 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.459 |
| Compound Name | (Z)-7-Hydroxynuciferol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 234.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 234.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.9187782705882355 |
| Inchi | InChI=1S/C15H22O2/c1-12-6-8-14(9-7-12)15(3,17)10-4-5-13(2)11-16/h5-9,16-17H,4,10-11H2,1-3H3/b13-5- |
| Smiles | CC1=CC=C(C=C1)C(C)(CC/C=C(/C)\CO)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Santalum Album (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all