(2E,4E)-5-anilino-1-phenyliminopenta-2,4-dien-2-ol
Formula:C17H16N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,4E)-5-anilino-1-phenyliminopenta-2,4-dien-2-ol is a drug-like molecule.
| MolName | (2E,4E)-5-anilino-1-phenyliminopenta-2,4-dien-2-ol |
| MolecularFormula | C17H16N2O |
| Smiles | O/C(/C=N/c1ccccc1)=C/C=C/Nc1ccccc1 |
| InChI | InChI=1S/C17H16N2O/c20-17(14-19-16-10-5-2-6-11-16)12-7-13-18-15-8-3-1-4-9-15/h1-14,18,20H |
| InChIK | AODMFXLIWQBNQE-UHFFFAOYSA-N |
| TotalMolweight | 264.327 |
| Molweight | 264.327 |
| MonoisotopicMass | 264.126263 |
| CLogP | 2.7123 |
| CLogS | -3.639 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 226.8 |
| Relative PSA | 0.15904 |
| PolarSurfaceArea | 44.62 |
| Druglikeness | 0.61412 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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