N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-(4-fluorophenyl)-2-morpholin-4-ylethanamine
Formula:C28H28N2O2Cl2FP
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-(4-fluorophenyl)-2-morpholin-4-ylethanamine is not a drug-like molecule.
| MolName | N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-(4-fluorophenyl)-2-morpholin-4-ylethanamine |
| MolecularFormula | C28H28N2O2Cl2FP |
| Smiles | O=P(/C=C(/c1ccccc1)\Cl)(/C=C(/c1ccccc1)\Cl)NCC(c(cc1)ccc1F)N1CCOCC1 |
| InChI | InChI=1S/C28H28Cl2FN2O2P/c29-26(22-7-3-1-4-8-22)20-36(34,21-27(30)23-9-5-2-6-10-23)32-19-28(33-15-17-35-18-16-33)24-11-13-25(31)14-12-24/h1-14,20-21,28H,15-19H2,(H,32,34)/t28-,36?/m0/s1 |
| InChIK | OLMVWPJYHIXGHM-IKAFLCQNSA-N |
| TotalMolweight | 545.42 |
| Molweight | 545.42 |
| MonoisotopicMass | 544.124947 |
| CLogP | 5.39 |
| CLogS | -2.463 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 402.72 |
| Relative PSA | 0.10437 |
| PolarSurfaceArea | 51.38 |
| Druglikeness | -12.606 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride |
| Shape Index | 0.41667 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 9 |
| Symmetricatoms | 15 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-(4-fluorophenyl)-2-morpholin-4-ylethanamine | 2 - N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-(4-fluorophenyl)-2-morpholin-4-ylethanamine
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