(E,4Z)-4-[(4-iodoanilino)methylidene]pent-2-enedinitrile
Formula:C12H8N3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E,4Z)-4-[(4-iodoanilino)methylidene]pent-2-enedinitrile is a drug-like molecule.
| MolName | (E,4Z)-4-[(4-iodoanilino)methylidene]pent-2-enedinitrile |
| MolecularFormula | C12H8N3I |
| Smiles | N#C/C=C/C(/C#N)=C/Nc(cc1)ccc1I |
| InChI | InChI=1S/C12H8IN3/c13-11-3-5-12(6-4-11)16-9-10(8-15)2-1-7-14/h1-6,9,16H |
| InChIK | LKGVMHWGWMESDD-UHFFFAOYSA-N |
| TotalMolweight | 321.117 |
| Molweight | 321.117 |
| MonoisotopicMass | 320.976295 |
| CLogP | 2.1122 |
| CLogS | -4.218 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 205.63 |
| Relative PSA | 0.18762 |
| PolarSurfaceArea | 59.61 |
| Druglikeness | -3.9139 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (E,4Z)-4-[(4-iodoanilino)methylidene]pent-2-enedinitrile | 2 - (E,4Z)-4-[(4-iodoanilino)methylidene]pent-2-enedinitrile
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