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1-isocyanatooctadecane	Predict NMR spectrum	RN:  112-96-9 MF:  C19H37NO MW:  295.50888
InChI:  1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h2-18H2,1H3 InChIKey:  QWDQYHPOSSHSAW-UHFFFAOYSA-N	H donor:  0 H acceptor:  2 Rotatable bond:  17 Stereocenter:  0	cLogP:  7.419 cLogS:  -5.305 Polar surface:  29.43
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