isophorone
(HJOVHMDZYOCNQW-UHFFFAOYSA-N)
Structure
- SMILES
- CC1=CC(=O)CC(C1)(C)C
- Molecular Formula:
- C9H14O
- Molecular Weight:
- 138.207
- Log P:
- 2.3218
- Hydrogen Bond Acceptor:
- 1
- Hydrogen Bond Donor:
- 0
- TPSA:
- 17.07
- CAS Number(s):
- 78-59-1
Synonym(s)
1.
isophorone
2.
diisophorone
External Link(s)
| MeSH | C005940 |
| PubChem Compound | 6544 |
| ChEBI | 34800 |
| CHEMBL | CHEMBL1882894 |
| KEGG | cpd:C14743 |
| ZINC | 14822379 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Liver diseases | 1715830 | CTD |
Powered by :
Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120271
Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.