Chemical Name - Atrazine
Mol Weight - 215.687
Smiles - CCNc1nc(Cl)nc(NC(C)C)n1
Mol Weight - 215.687
Smiles - CCNc1nc(Cl)nc(NC(C)C)n1
| Property Value | |
| Mol Name | Atrazine |
| Molweight | 215.687 |
| Monoisotopic Mass | 215.093772 |
| Clogp | 2.0257 |
| Clogs | -3.134 |
| H Acceptors | 5 |
| H Donors | 2 |
| Total Surface Area | 170.92 |
| Relative Psa | 0.32664 |
| Polar Surface Area | 62.73 |
| Druglikeness | 1.3079 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.64286 |
| Molecular Flexibility | 0.45367 |
| Molecular Complexity | 0.56446 |
| Fragments | 1 |
| Non H Atoms | 14 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bonds | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 5 |
| Symmetric Atoms | 1 |
| Aromatic Nitrogens | 3 |
| Smiles | CCNc1nc(Cl)nc(NC(C)C)n1 |
| InChIKey | InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14) |
| InChI | MXWJVTOOROXGIU-UHFFFAOYSA-N |
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1 - Atrazine
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