(Z)-3-(4-nitrophenyl)-2-pyridin-2-ylprop-2-enenitrile
Formula:C14H9N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(4-nitrophenyl)-2-pyridin-2-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-(4-nitrophenyl)-2-pyridin-2-ylprop-2-enenitrile |
| MolecularFormula | C14H9N3O2 |
| Smiles | N#C/C(/c1ncccc1)=C\c(cc1)ccc1[N+]([O-])=O |
| InChI | InChI=1S/C14H9N3O2/c15-10-12(14-3-1-2-8-16-14)9-11-4-6-13(7-5-11)17(18)19/h1-9H |
| InChIK | XAPKFAAUXNYINI-UHFFFAOYSA-N |
| TotalMolweight | 251.244 |
| Molweight | 251.244 |
| MonoisotopicMass | 251.069477 |
| CLogP | 1.4641 |
| CLogS | -3.318 |
| H Acceptors | 5 |
| TotalSurfaceArea | 201.87 |
| Relative PSA | 0.2722 |
| PolarSurfaceArea | 82.5 |
| Druglikeness | -10.238 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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