[(E)-2-benzamido-2-carboxy-1-phenylethenyl]-triphenylphosphanium
Formula:C34H27NO3P
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-2-benzamido-2-carboxy-1-phenylethenyl]-triphenylphosphanium is not a drug-like molecule.
| MolName | [(E)-2-benzamido-2-carboxy-1-phenylethenyl]-triphenylphosphanium |
| MolecularFormula | C34H27NO3P |
| Smiles | OC(/C(/NC(c1ccccc1)=O)=C(/c1ccccc1)\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=O |
| InChI | InChI=1S/C34H26NO3P/c36-33(27-18-8-2-9-19-27)35-31(34(37)38)32(26-16-6-1-7-17-26)39(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30/h1-25H,(H-,35,36,37,38)/p+1 |
| InChIK | YETXCTDLKKVEQC-UHFFFAOYSA-O |
| TotalMolweight | 528.566 |
| Molweight | 528.566 |
| MonoisotopicMass | 528.172856 |
| CLogP | 7.4564 |
| CLogS | -6.853 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 402.03 |
| Relative PSA | 0.12596 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | -8.9733 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | phosphonium |
| Shape Index | 0.33333 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 2 |
| Symmetricatoms | 18 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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