[(E)-2-benzamido-2-carboxyethenyl]-triphenylphosphanium
Formula:C28H23NO3P
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-2-benzamido-2-carboxyethenyl]-triphenylphosphanium is not a drug-like molecule.
| MolName | [(E)-2-benzamido-2-carboxyethenyl]-triphenylphosphanium |
| MolecularFormula | C28H23NO3P |
| Smiles | OC(/C(/NC(c1ccccc1)=O)=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=O |
| InChI | InChI=1S/C28H22NO3P/c30-27(22-13-5-1-6-14-22)29-26(28(31)32)21-33(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H,(H-,29,30,31,32)/p+1 |
| InChIK | XQLFAVGSYSYJNF-UHFFFAOYSA-O |
| TotalMolweight | 452.469 |
| Molweight | 452.469 |
| MonoisotopicMass | 452.141556 |
| CLogP | 5.7969 |
| CLogS | -6.781 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 344.06 |
| Relative PSA | 0.14718 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | -8.9733 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | phosphonium |
| Shape Index | 0.39394 |
| Fragments | 1 |
| Non HAtoms | 33 |
| 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 |
| AcidicOxygens | 1 |
| StereoCon |
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