Cycloheptanol, 2-chloro-, trans-
PubChem CID: 12932773
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-Chlorocycloheptanol #, ZVHKXELYDFJYOO-BQBZGAKWSA-N, Cycloheptanol, 2-chloro-, trans- |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCCC1 |
| Deep Smiles | O[C@H]CCCCC[C@@H]7Cl |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCCCC1 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 85.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,2S)-2-chlorocycloheptan-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H13ClO |
| Scaffold Graph Node Bond Level | C1CCCCCC1 |
| Inchi Key | ZVHKXELYDFJYOO-BQBZGAKWSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2-chlorocycloheptanol |
| Esol Class | Soluble |
| Functional Groups | CCl, CO |
| Compound Name | Cycloheptanol, 2-chloro-, trans- |
| Exact Mass | 148.065 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 148.065 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 148.63 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H13ClO/c8-6-4-2-1-3-5-7(6)9/h6-7,9H,1-5H2/t6-,7-/m0/s1 |
| Smiles | C1CC[C@@H]([C@H](CC1)Cl)O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Cestrum Nocturnum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643871