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Theobromine	Predict NMR spectrum	RN:  83-67-0 MF:  C7H8N4O2 MW:  180.16612 mp (°C):  290  - 295
InChI:  1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) InChIKey:  YAPQBXQYLJRXSA-UHFFFAOYSA-N	H donor:  1 H acceptor:  6 Rotatable bond:  0 Stereocenter:  0	cLogP:  -0.516 cLogS:  -1.506 Polar surface:  67.23 NEW: 3D model:  Show
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