[(E)-2-benzamido-3-[(5-chloropyridin-2-yl)amino]-3-oxoprop-1-enyl]-triphenylphosphanium
Formula:C33H26N3O2ClP
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-2-benzamido-3-[(5-chloropyridin-2-yl)amino]-3-oxoprop-1-enyl]-triphenylphosphanium is not a drug-like molecule.
| MolName | [(E)-2-benzamido-3-[(5-chloropyridin-2-yl)amino]-3-oxoprop-1-enyl]-triphenylphosphanium |
| MolecularFormula | C33H26N3O2ClP |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Nc(cc1)ncc1Cl |
| InChI | InChI=1S/C33H25ClN3O2P/c34-26-21-22-31(35-23-26)37-33(39)30(36-32(38)25-13-5-1-6-14-25)24-40(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-24H,(H-,35,36,37,38,39)/p+1 |
| InChIK | KIYJPJAEIHIOJL-UHFFFAOYSA-O |
| TotalMolweight | 563.015 |
| Molweight | 563.015 |
| MonoisotopicMass | 562.145116 |
| CLogP | 7.4158 |
| CLogS | -8.746 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 423.11 |
| Relative PSA | 0.14174 |
| PolarSurfaceArea | 71.09 |
| Druglikeness | -5.5429 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | phosphonium |
| Shape Index | 0.35 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 1 |
| Symmetricatoms | 16 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-2-benzamido-3-[(5-chloropyridin-2-yl)amino]-3-oxoprop-1-enyl]-triphenylphosphanium | 2 - [(E)-2-benzamido-3-[(5-chloropyridin-2-yl)amino]-3-oxoprop-1-enyl]-triphenylphosphanium
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