[(E)-1-benzamido-2-chloroethenyl]-triphenylphosphanium
Formula:C27H22NOClP
Mutagenic:low
Tumorigenic:low
Reproductive Effective:high
[(E)-1-benzamido-2-chloroethenyl]-triphenylphosphanium is not a drug-like molecule.
| MolName | [(E)-1-benzamido-2-chloroethenyl]-triphenylphosphanium |
| MolecularFormula | C27H22NOClP |
| Smiles | O=C(c1ccccc1)N/C(/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=C\Cl |
| InChI | InChI=1S/C27H21ClNOP/c28-21-26(29-27(30)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/p+1 |
| InChIK | JXZHBUOWYJRBOQ-UHFFFAOYSA-O |
| TotalMolweight | 442.905 |
| Molweight | 442.905 |
| MonoisotopicMass | 442.112753 |
| CLogP | 6.9181 |
| CLogS | -7.807 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 335.38 |
| Relative PSA | 0.073051 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -7.2275 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | phosphonium |
| Shape Index | 0.3871 |
| 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 | 1 |
| StereoCon |
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