[(E)-1-(carbamoylamino)-2-phenylethenyl]-triphenylphosphanium
Formula:C27H24N2OP
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-1-(carbamoylamino)-2-phenylethenyl]-triphenylphosphanium is not a drug-like molecule.
| MolName | [(E)-1-(carbamoylamino)-2-phenylethenyl]-triphenylphosphanium |
| MolecularFormula | C27H24N2OP |
| Smiles | NC(N/C(/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=C\c1ccccc1)=O |
| InChI | InChI=1S/C27H23N2OP/c28-27(30)29-26(21-22-13-5-1-6-14-22)31(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H,(H2-,28,29,30)/p+1 |
| InChIK | FYISOSFLXZRBDJ-UHFFFAOYSA-O |
| TotalMolweight | 423.475 |
| Molweight | 423.475 |
| MonoisotopicMass | 423.162625 |
| CLogP | 6.2326 |
| CLogS | -7.823 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 328.48 |
| Relative PSA | 0.12107 |
| PolarSurfaceArea | 55.12 |
| Druglikeness | -7.5275 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | phosphonium |
| Shape Index | 0.35484 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 16 |
| Amides | 2 |
| StereoCon |
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