Identifikatoren & physikalische Daten
| CAS No. | 324044-75-9 |
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| Summenformel | C16H15NO4S |
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| Durchschnittliche Molmasse | 317,4 g/mol |
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| SMILES | O=C(O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 |
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| InChIKey | FSXJLTAHMZIFKA-UHFFFAOYSA-N |
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| PubChem CID | 2318939 |
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| ChEMBL | CHEMBL1323572 |
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| EC No. | 874-067-7 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
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| Polarare Oberfläche (TPSA) | 83,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 22 |
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| Formalladung | 0 |
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| Komplexität | 505 |
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| Löslichkeit | >47.6 [ug/mL] (The mean of the results at pH 7.4) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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