(E)-3-anilino-5-hydroxy-1,5,5-triphenylpent-2-en-1-one
Formula:C29H25NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-anilino-5-hydroxy-1,5,5-triphenylpent-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-anilino-5-hydroxy-1,5,5-triphenylpent-2-en-1-one |
| MolecularFormula | C29H25NO2 |
| Smiles | OC(C/C(/Nc1ccccc1)=C\C(c1ccccc1)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C29H25NO2/c31-28(23-13-5-1-6-14-23)21-27(30-26-19-11-4-12-20-26)22-29(32,24-15-7-2-8-16-24)25-17-9-3-10-18-25/h1-21,30,32H,22H2 |
| InChIK | XJGXGZHDJYEUQO-UHFFFAOYSA-N |
| TotalMolweight | 419.522 |
| Molweight | 419.522 |
| MonoisotopicMass | 419.188529 |
| CLogP | 5.8616 |
| CLogS | -6.188 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 336.98 |
| Relative PSA | 0.11158 |
| PolarSurfaceArea | 49.33 |
| Druglikeness | 2.4905 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.40625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 12 |
| StereoCon |
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1 - (E)-3-anilino-5-hydroxy-1,5,5-triphenylpent-2-en-1-one | 2 - (E)-3-anilino-5-hydroxy-1,5,5-triphenylpent-2-en-1-one
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