(2Z,4E)-5-(2-nitrophenyl)-2-pyridin-2-ylpenta-2,4-dienenitrile
Formula:C16H11N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z,4E)-5-(2-nitrophenyl)-2-pyridin-2-ylpenta-2,4-dienenitrile is a drug-like molecule.
| MolName | (2Z,4E)-5-(2-nitrophenyl)-2-pyridin-2-ylpenta-2,4-dienenitrile |
| MolecularFormula | C16H11N3O2 |
| Smiles | N#C/C(/c1ncccc1)=C\C=C\c(cccc1)c1[N+]([O-])=O |
| InChI | InChI=1S/C16H11N3O2/c17-12-14(15-9-3-4-11-18-15)8-5-7-13-6-1-2-10-16(13)19(20)21/h1-11H |
| InChIK | BRRARZGMKNFVIK-UHFFFAOYSA-N |
| TotalMolweight | 277.282 |
| Molweight | 277.282 |
| MonoisotopicMass | 277.085127 |
| CLogP | 2.1207 |
| CLogS | -3.63 |
| H Acceptors | 5 |
| TotalSurfaceArea | 228.37 |
| Relative PSA | 0.24062 |
| PolarSurfaceArea | 82.5 |
| Druglikeness | -9.835 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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