SMILES : O=C(O)C(N)C(CC)C
CHEM   : L-Isoleucine
MOL FOR: C6 H13 N1 O2 
MOL WT : 131.18
------------------- SUMMARY (AOP v1.92): HYDROXYL RADICALS (25 deg C) --------
Hydrogen Abstraction       =  21.0622 E-12 cm3/molecule-sec
Reaction with N, S and -OH =  21.5200 E-12 cm3/molecule-sec
Addition to Triple Bonds   =   0.0000 E-12 cm3/molecule-sec
Addition to Olefinic Bonds =   0.0000 E-12 cm3/molecule-sec
Addition to Aromatic Rings =   0.0000 E-12 cm3/molecule-sec
Addition to Fused Rings    =   0.0000 E-12 cm3/molecule-sec

   OVERALL OH Rate Constant =  42.5822 E-12 cm3/molecule-sec
   HALF-LIFE =     0.251 Days (12-hr day; 1.5E6 OH/cm3)
   HALF-LIFE =     3.014 Hrs
------------------- SUMMARY (AOP v1.91): OZONE REACTION (25 deg C) -----------

               ******  NO OZONE REACTION ESTIMATION ******
               (ONLY Olefins and Acetylenes are Estimated)

Experimental Database:  NO Structure Matches

------------------------------------------------------------------------------


