2-morpholin-4-ylethyl 2,2,2-triphenylacetate
Formula:C26H27NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-morpholin-4-ylethyl 2,2,2-triphenylacetate is a drug-like molecule.
| MolName | 2-morpholin-4-ylethyl 2,2,2-triphenylacetate |
| MolecularFormula | C26H27NO3 |
| Smiles | O=C(C(c1ccccc1)(c1ccccc1)c1ccccc1)OCCN1CCOCC1 |
| InChI | InChI=1S/C26H27NO3/c28-25(30-21-18-27-16-19-29-20-17-27)26(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15H,16-21H2 |
| InChIK | ZJFRDQLEXWAHPW-UHFFFAOYSA-N |
| TotalMolweight | 401.504 |
| Molweight | 401.504 |
| MonoisotopicMass | 401.199094 |
| CLogP | 3.7862 |
| CLogS | -3.395 |
| H Acceptors | 4 |
| TotalSurfaceArea | 320.3 |
| Relative PSA | 0.11424 |
| PolarSurfaceArea | 38.77 |
| Druglikeness | 3.0333 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 16 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-morpholin-4-ylethyl 2,2,2-triphenylacetate | 2 - 2-morpholin-4-ylethyl 2,2,2-triphenylacetate
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