4-[phenoxy-[(E)-2-phenylethenyl]phosphoryl]morpholine
Formula:C18H20NO3P
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-[phenoxy-[(E)-2-phenylethenyl]phosphoryl]morpholine is a drug-like molecule.
| MolName | 4-[phenoxy-[(E)-2-phenylethenyl]phosphoryl]morpholine |
| MolecularFormula | C18H20NO3P |
| Smiles | O=P(/C=C/c1ccccc1)(N1CCOCC1)Oc1ccccc1 |
| InChI | InChI=1S/C18H20NO3P/c20-23(19-12-14-21-15-13-19,22-18-9-5-2-6-10-18)16-11-17-7-3-1-4-8-17/h1-11,16H,12-15H2/t23-/m1/s1 |
| InChIK | BRMNFHWSUUCQIA-HSZRJFAPSA-N |
| TotalMolweight | 329.335 |
| Molweight | 329.335 |
| MonoisotopicMass | 329.118081 |
| CLogP | 2.7812 |
| CLogS | -4.041 |
| H Acceptors | 4 |
| TotalSurfaceArea | 255.13 |
| Relative PSA | 0.15902 |
| PolarSurfaceArea | 48.58 |
| Druglikeness | -17.272 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| StereoCon | racemate |
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