[(E)-2-chloro-1-(phenoxycarbonylamino)ethenyl]-triphenylphosphanium
Formula:C27H22NO2ClP
Mutagenic:low
Tumorigenic:low
Reproductive Effective:high
[(E)-2-chloro-1-(phenoxycarbonylamino)ethenyl]-triphenylphosphanium is not a drug-like molecule.
| MolName | [(E)-2-chloro-1-(phenoxycarbonylamino)ethenyl]-triphenylphosphanium |
| MolecularFormula | C27H22NO2ClP |
| Smiles | O=C(N/C(/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=C\Cl)Oc1ccccc1 |
| InChI | InChI=1S/C27H21ClNO2P/c28-21-26(29-27(30)31-22-13-5-1-6-14-22)32(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H/p+1 |
| InChIK | UJIXQYJLOIUQLE-UHFFFAOYSA-O |
| TotalMolweight | 458.904 |
| Molweight | 458.904 |
| MonoisotopicMass | 458.107668 |
| CLogP | 7.195 |
| CLogS | -8.281 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 345.38 |
| Relative PSA | 0.09989 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -17.129 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | phosphonium |
| Shape Index | 0.40625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 16 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-2-chloro-1-(phenoxycarbonylamino)ethenyl]-triphenylphosphanium | 2 - [(E)-2-chloro-1-(phenoxycarbonylamino)ethenyl]-triphenylphosphanium
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off