3-Chloro-1-heptene
PubChem CID: 534251
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| Compound Synonyms | 3-Chloro-1-heptene, 1-Heptene, 3-chloro-, 55682-98-9, 3-chloro-hept-1-ene, 3-Chloro-1-heptene #, SCHEMBL232055, DTXSID40336517, LDPWDXLYZCXUCU-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 59.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-chlorohept-1-ene |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C7H13Cl |
| Prediction Swissadme | 0.0 |
| Inchi Key | LDPWDXLYZCXUCU-UHFFFAOYSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -3.532 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.589 |
| Compound Name | 3-Chloro-1-heptene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 132.071 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 132.071 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 132.63 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4710308000000003 |
| Inchi | InChI=1S/C7H13Cl/c1-3-5-6-7(8)4-2/h4,7H,2-3,5-6H2,1H3 |
| Smiles | CCCCC(C=C)Cl |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhododendron Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients