Drug-likeness Properties
sLogP
3.58328
HBD
0
HBA
4
AS114693-G1
Halides
2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(4-chlorophenyl)hexanenitrile 97%
CAS: 88671-89-0
Molecular Formula
C15H17ClN4
Molecular Weight
288.78
MDL
MFCD00144818
Unit Size
Price per 1 g
€238.00
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PRODUCT ATTACHED TO REQUEST:
2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(4-chlorophenyl)hexanenitrile 97%
Catalogue Number: AS114693-G1
C.A.S / related C.A.S
88671-89-0
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AS114693-G1
General Information
| Catalog #: | AS114693-G1 |
|---|---|
| Formula: | C15H17ClN4 |
| Mass: | 288.78 |
| C.A.S. / related C.A.S: | 88671-89-0 |
| MDL: | MFCD00144818 |
| Appearance: | solid |
| Colour: | clear |
| Hazardous Classification: | Giftig (Toxic) |
| Storage Temp: | 2-7°C Kühlschrank / Refrigerate |
| Dangerous Goods in Excepted Quantities: | |
| Tariff Code: | 2933998012 |
| Stock: | 0 |
| Material Safety Data Sheet: |
Computational Information
| SlogP: | 3.58328 |
|---|---|
| LabuteASA: | 123.5658195 |
| TPSA: | 54.5 |
| NumRotatableBonds: | 6 |
| NumHBD: | 0 |
| NumHBA: | 4 |
| NumHeavyAtoms: | 20 |
| NumRings: | 2 |