With respect to the effect of increasing polarity, we observe in several cases, especially for the hydrogens, a systematic increase or decrease in the NSCD strength with increasing polarity. However, there does not appear to be a trend related to molecular structure and to which nuclei exhibit increasing or decreasing NSCD signals. For most nuclei, the NSCD has the same sign in all environments, with modulation of intensities. The exceptions for hydrogen are H3, H7, and the amino hydrogens H9 and H10. In all mentioned cases, it is either the results obtained in gas-phase or DMSO that deviate from the others. For the amino hydrogens the NSCD is positive in gas phase, C 6 H 12 , and CHCl 3 with a systematic and striking decrease in intensity. Meanwhile, the signals are negative in DMSO. For these hydrogens, one should note that they can form hydrogen bonds to the oxygens in DMSO and to other AZO-3 molecules if the concentration is high. These effects are not captured by COSMO. Nevertheless, for all cases, the NSCD intensity has a monotonic increase or decrease with the increasing polarity of the solvent. There are three exceptions for the carbon nuclei with respect to producing the same sign in all environments: C2, C4, and C5. For C2 the trend is a monotonic increase in NSCD, while for C4 and C5 there is no clear trend. Both C4 and C5 have very weak signals, which makes them more susceptible to switching signs with even small perturbations of intensities, compared to, e.g., similar fluctuations in C1 which has a stronger overall signal.