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Estrone	Predict NMR spectrum	RN:  53-16-7 MF:  C18H22O2 MW:  270.37148 mp (°C):  258  - 261
InChI:  1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 InChIKey:  DNXHEGUUPJUMQT-CBZIJGRNSA-N	H donor:  1 H acceptor:  2 Rotatable bond:  0 Stereocenter:  4	cLogP:  4.002 cLogS:  -4.07 Polar surface:  37.3 NEW: 3D model:  Show
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