40 compounds | Property logTA100: Mutagenic potency in strain TA100 [log(reversions/nmol)]
| ID | Name | logTA100 | Details |
|---|---|---|---|
| 1 | 2,4,4-Trichloro-3-(dichloromethyl)-2-butenoic acid | 2.821 | View |
| 2 | (Z)-2,4,4-Trichloro-3-formyl-2-butenoic acid | 4.07 | View |
| 3 | (Z)-2,4-Dichloro-3-formyl-2-butenoic acid | 2.847 | View |
| 5 | (E)-2,4,4-Trichloro-3-(chloromethyl)-2-butenoic acid | 3.466 | View |
| 6 | (S)-2,3-Dibromopropanal | -0.522 | View |
| 7 | Dichloroacetic acid | -1.829 | View |
| 8 | Chloroacetic acid | -1.943 | View |
| 10 | 2-Bromopropane | -1.716 | View |
| 11 | 2,3-Dichloro-1-propene | -0.0065 | View |
| 12 | (R)-1,2-Dichloropropane | -2.473 | View |
| 13 | 2,2-Dichloroacetyl Chloride | -1.212 | View |
| 14 | 1,3-Dichloro-2-propanol | -1.837 | View |
| 15 | (S)-2,3-Dibromo-1-propanol | -0.334 | View |
| 16 | 1,2-Dibromoethane | -0.607 | View |
| 17 | (R)-2-(Chloromethyl)oxirane | -0.692 | View |
| 18 | 2-Chloroacetaldehyde | -0.789 | View |
| 19 | 2-Chloroethanol | -2.074 | View |
| 20 | 3-Chloro-1-propene | -2.326 | View |
| 21 | (E)-1,4-Dichloro-2-butene | 0.179 | View |
| 22 | (2S,3S,4S,5S)-1,6-Dibromohexane-2,3,4,5-tetraol | -1.607 | View |
| 23 | (R)-2-(Fluoromethyl)oxirane | -1.092 | View |
| 24 | 2-Bromoethanol | -2.075 | View |
| 25 | (E)-1,3-Dichloro-1-propene i | 0.01 | View |
| 26 | (S)-3-Iodo-1,2-propanediol | -1.26 | View |
| 27 | 2-Chloro-2-nitropropane | -1.874 | View |
| 28 | (R)-1-Chloro-1-nitropropane | -0.679 | View |
| 29 | (S)-2,3-Dichloro-1-propanol | -0.746 | View |
| 30 | 3-Bromo-1-propanol | -1.694 | View |
| 31 | Dibromoacetic acid | -1.203 | View |
| 32 | 2-Chloroethyl acrylate | -1.214 | View |
| 33 | (S)-2-(2,2,2-Trichloroethyl)oxirane | -1.193 | View |
| 34 | (S)-2-(Trichloromethyl)oxirane | 0.455 | View |
| 35 | (R)-2-(Bromomethyl)oxirane | -0.371 | View |
| 36 | 3-Chloro-N,N-dimethyl-1-propanamine i | -2.4 | View |
| 37 | Bromochloroacetic acid | -1.207 | View |
| 38 | (S)-2,3-Dibromopropyl acrylate | -1.55 | View |
| 39 | (R)-1-Bromo-2-propanol | -1.793 | View |
| 40 | 2-Bromoacrylaldehyde | -0.207 | View |
| 41 | 3-Bromo-3-buten-2-one | -0.886 | View |
| 42 | Iodoacetic acid | 0.776 | View |
Pérez-Garrido, A.; González, M. P.; Escudero, A. G. Halogenated derivatives QSAR model using spectral moments to predict haloacetic acids (HAA) mutagenicity. Bioorganic & Medicinal Chemistry 2008, 16, 5720–5732. https://doi.org/10.1016/j.bmc.2008.03.070