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DL-Isoleucine	Predict NMR spectrum	RN:  443-79-8 MF:  C6H13NO2 MW:  131.17472 mp (°C):  210
InChI:  1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m1/s1 InChIKey:  AGPKZVBTJJNPAG-RFZPGFLSSA-N	H donor:  2 H acceptor:  3 Rotatable bond:  3 Stereocenter:  2	cLogP:  0.204 cLogS:  -1.106 Polar surface:  63.32 NEW: 3D model:  Show
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