[(E)-2-benzamido-2-cyanoethenyl]-triphenylphosphanium
Formula:C28H22N2OP
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-2-benzamido-2-cyanoethenyl]-triphenylphosphanium is not a drug-like molecule.
| MolName | [(E)-2-benzamido-2-cyanoethenyl]-triphenylphosphanium |
| MolecularFormula | C28H22N2OP |
| Smiles | N#C/C(/NC(c1ccccc1)=O)=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C28H21N2OP/c29-21-24(30-28(31)23-13-5-1-6-14-23)22-32(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,22H/p+1 |
| InChIK | LWVLBVLUZHHVGC-UHFFFAOYSA-O |
| TotalMolweight | 433.47 |
| Molweight | 433.47 |
| MonoisotopicMass | 433.146975 |
| CLogP | 6.3188 |
| CLogS | -7.454 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 341.67 |
| Relative PSA | 0.11139 |
| PolarSurfaceArea | 52.89 |
| Druglikeness | -11.113 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | phosphonium |
| Shape Index | 0.40625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| 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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