Chemical Name - Prometryn
Mol Weight - 241.362
Smiles - CC(C)Nc1nc(SC)nc(NC(C)C)n1
Mol Weight - 241.362
Smiles - CC(C)Nc1nc(SC)nc(NC(C)C)n1
| Property Value | |
| Mol Name | Prometryn |
| Molweight | 241.362 |
| Monoisotopic Mass | 241.136115 |
| Clogp | 2.2562 |
| Clogs | -3.624 |
| H Acceptors | 5 |
| H Donors | 2 |
| Total Surface Area | 196.25 |
| Relative Psa | 0.37361 |
| Polar Surface Area | 88.03 |
| Druglikeness | 0.92514 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.5625 |
| Molecular Flexibility | 0.46279 |
| Molecular Complexity | 0.59413 |
| Fragments | 1 |
| Non H Atoms | 16 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bonds | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 8 |
| Symmetric Atoms | 7 |
| Aromatic Nitrogens | 3 |
| Smiles | CC(C)Nc1nc(SC)nc(NC(C)C)n1 |
| InChIKey | InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15) |
| InChI | AAEVYOVXGOFMJO-UHFFFAOYSA-N |
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1 - Prometryn
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