2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate
Formula:C11H19N5O3
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate is a drug-like molecule.
| MolName | 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate |
| MolecularFormula | C11H19N5O3 |
| Smiles | CCNc1nc(OCCOC(C)=O)nc(NCC)n1 |
| InChI | InChI=1S/C11H19N5O3/c1-4-12-9-14-10(13-5-2)16-11(15-9)19-7-6-18-8(3)17/h4-7H2,1-3H3,(H2,12,13,14,15,16) |
| InChIK | ZNOPHVAJORUIDL-UHFFFAOYSA-N |
| TotalMolweight | 269.304 |
| Molweight | 269.304 |
| MonoisotopicMass | 269.14879 |
| CLogP | 1.082 |
| CLogS | -2.743 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 222.03 |
| Relative PSA | 0.40026 |
| PolarSurfaceArea | 98.26 |
| Druglikeness | -7.0451 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate | 2 - 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate
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