(E)-2-(2-hydroxyanilino)-4-phenylbut-3-enenitrile
Formula:C16H14N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(2-hydroxyanilino)-4-phenylbut-3-enenitrile is a drug-like molecule.
| MolName | (E)-2-(2-hydroxyanilino)-4-phenylbut-3-enenitrile |
| MolecularFormula | C16H14N2O |
| Smiles | N#CC(/C=C/c1ccccc1)Nc(cccc1)c1O |
| InChI | InChI=1S/C16H14N2O/c17-12-14(11-10-13-6-2-1-3-7-13)18-15-8-4-5-9-16(15)19/h1-11,14,18-19H/t14-/m0/s1 |
| InChIK | FPAHRESMPLYGKS-AWEZNQCLSA-N |
| TotalMolweight | 250.3 |
| Molweight | 250.3 |
| MonoisotopicMass | 250.110613 |
| CLogP | 2.7451 |
| CLogS | -3.746 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 211.54 |
| Relative PSA | 0.1802 |
| PolarSurfaceArea | 56.05 |
| Druglikeness | -4.2008 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon | racemate |
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