(2E)-3-anilino-1,5,5-triphenylpenta-2,4-dien-1-one
Formula:C29H23NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2E)-3-anilino-1,5,5-triphenylpenta-2,4-dien-1-one is not a drug-like molecule.
| MolName | (2E)-3-anilino-1,5,5-triphenylpenta-2,4-dien-1-one |
| MolecularFormula | C29H23NO |
| Smiles | O=C(/C=C(\C=C(c1ccccc1)c1ccccc1)/Nc1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C29H23NO/c31-29(25-17-9-3-10-18-25)22-27(30-26-19-11-4-12-20-26)21-28(23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-22,30H |
| InChIK | YMWPFYLPHXCDDY-UHFFFAOYSA-N |
| TotalMolweight | 401.508 |
| Molweight | 401.508 |
| MonoisotopicMass | 401.177964 |
| CLogP | 6.0048 |
| CLogS | -6.787 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 331.17 |
| Relative PSA | 0.07398 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 1.5029 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41935 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 12 |
| StereoCon |
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