| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 70BK60I8RP |
Structure
| InChI Key | ATMNQRRJNBCQJO-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H24O2 |
| Molecular Weight | 236.35 |
| AlogP | 4.28 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 29.46 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 148081-72-5 |
| ChEMBL | CHEMBL3182532 |
| DrugBank | DB12162 |
| EPA CompTox | DTXSID1020697 |
| FDA SRS | 70BK60I8RP |
| PubChem | 119193 |
| SureChEMBL | SCHEMBL688955 |
| ZINC | ZINC000001538784 |
CONTENTS