(E)-2-anilino-4-phenylbut-3-enenitrile
Formula:C16H14N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-anilino-4-phenylbut-3-enenitrile is a drug-like molecule.
| MolName | (E)-2-anilino-4-phenylbut-3-enenitrile |
| MolecularFormula | C16H14N2 |
| Smiles | N#CC(/C=C/c1ccccc1)Nc1ccccc1 |
| InChI | InChI=1S/C16H14N2/c17-13-16(18-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-12,16,18H/t16-/m0/s1 |
| InChIK | FTYMHPZZEXKFAO-INIZCTEOSA-N |
| TotalMolweight | 234.301 |
| Molweight | 234.301 |
| MonoisotopicMass | 234.115698 |
| CLogP | 3.0908 |
| CLogS | -4.042 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 205.19 |
| Relative PSA | 0.12194 |
| PolarSurfaceArea | 35.82 |
| Druglikeness | -4.1689 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon | racemate |
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