Identifikatoren & physikalische Daten
| CAS No. | 85801-02-1 |
|---|
| Summenformel | C34H40ClNO4 |
|---|
| Durchschnittliche Molmasse | 562,1 g/mol |
|---|
| Monoisotopische Masse | 561,26458644 g/mol |
|---|
| SMILES | COc1ccc2c(c1)c(CC(=O)OC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(C)n2C(=O)c1ccc(Cl)cc1 |
|---|
| InChIKey | CFIGYZZVJNJVDQ-LMJOQDENSA-N |
|---|
| PubChem CID | 5282183 |
|---|
| ChEMBL | CHEMBL3186966 |
|---|
| ChEBI | CHEBI:31698 |
|---|
| EC No. | 811-837-3 |
|---|
| DTXSID | DTXSID9057844 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 9,8 |
|---|
| Polarare Oberfläche (TPSA) | 57,5 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 4 |
|---|
| Frei drehbare Bindungen | 13 |
|---|
| Schwere Atome | 40 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 928 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
