1,3-Cyclohexadiene-1-methanol
PubChem CID: 11251975
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| Compound Synonyms | 1,3-Cyclohexadiene-1-methanol, cyclohexadienemethanol, SCHEMBL6012887, QJPBSJBZCXNNFS-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 122.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cyclohexa-1,3-dien-1-ylmethanol |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C7H10O |
| Prediction Swissadme | 0.0 |
| Inchi Key | QJPBSJBZCXNNFS-UHFFFAOYSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -0.172 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.606 |
| Compound Name | 1,3-Cyclohexadiene-1-methanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 110.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 110.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 110.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.9798671999999999 |
| Inchi | InChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h1-2,4,8H,3,5-6H2 |
| Smiles | C1CC(=CC=C1)CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euodia Bodinieri (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Euodia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Euodia Ruticarpa (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients