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| 4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride 0.5 hydrate |
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Predict NMR spectrum
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| InChI: |
1S/C13H18N2O2.2ClH.H2O/c1-14-6-8-15(9-7-14)10-11-2-4-12(5-3-11)13(16)17;;;/h2-5H,6-10H2,1H3,(H,16,17);2*1H;1H2 |
| InChIKey: |
XMWFNFPYOSDROW-UHFFFAOYSA-N |
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| H donor: |
2 |
| H acceptor: |
5 |
| Rotatable bond: |
3 |
| Stereocenter: |
0 |
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| cLogP: |
1.12 |
| cLogS: |
-0.712 |
| Polar surface: |
53.01 |
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