"ADME Research, USCD" . "CC(=O)C=O" . "372.115715232" . "1.26" . "341.4075" . "106.25" . "9" . "ChemAxon" . "4.88" . "3" . "-4.4" . "-6.16" . "4.93" . "-0.58" . "InChIKey=MMIJMYOYKAKQPN-UHFFFAOYSA-N" . "83.99" . "94.01" . "ALOGPS" . "CCOC1=CC(N)=C(C=C1C(=O)NC1CCN(CC2CCC=CC2)CC1)[N+]([O-])=O" . "8" .