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5-Nitroisoquinoline	NEW: Predict NMR spectrum	RN:  607-32-9 MF:  C9H6N2O2 MW:  174.15884 mp (°C):  106  - 110
InChI:  1S/C9H6N2O2/c12-11(13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H InChIKey:  PYGMPFQCCWBTJQ-UHFFFAOYSA-N	H donor:  0 H acceptor:  4 Rotatable bond:  1 Stereocenter:  0	cLogP:  1.956 cLogS:  -2.887 Polar surface:  58.71
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