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| Neurodye RH-461 |
| N-(4-Trimethylammoniumpropyl)-4-(4-(4-(diethylamino)phenyl)butadienyl)pyridinium diacetate |
| RH-461 |
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Predict NMR spectrum
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| InChI: |
1S/C25H37N3.2C2H4O2/c1-6-27(7-2)25-15-13-23(14-16-25)11-8-9-12-24-17-20-26(21-18-24)19-10-22-28(3,4)5;2*1-2(3)4/h8-9,11-18,20-21H,6-7,10,19,22H2,1-5H3;2*1H3,(H,3,4)/q+2;;/p-2 |
| InChIKey: |
VRXLWJWIYLVBRU-UHFFFAOYSA-L |
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| H donor: |
0 |
| H acceptor: |
7 |
| Rotatable bond: |
10 |
| Stereocenter: |
0 |
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| cLogP: |
3.966 |
| cLogS: |
-2.559 |
| Polar surface: |
87.38 |
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