(Z)-2-(2-nitrophenyl)-3-pyridin-3-ylprop-2-enenitrile
Formula:C14H9N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-(2-nitrophenyl)-3-pyridin-3-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-(2-nitrophenyl)-3-pyridin-3-ylprop-2-enenitrile |
| MolecularFormula | C14H9N3O2 |
| Smiles | N#C/C(/c(cccc1)c1[N+]([O-])=O)=C\c1cnccc1 |
| InChI | InChI=1S/C14H9N3O2/c15-9-12(8-11-4-3-7-16-10-11)13-5-1-2-6-14(13)17(18)19/h1-8,10H |
| InChIK | YRFBVWCEIFLTMX-UHFFFAOYSA-N |
| TotalMolweight | 251.244 |
| Molweight | 251.244 |
| MonoisotopicMass | 251.069477 |
| CLogP | 1.4101 |
| CLogS | -3.294 |
| 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 | 0.52632 |
| 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 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-2-(2-nitrophenyl)-3-pyridin-3-ylprop-2-enenitrile | 2 - (Z)-2-(2-nitrophenyl)-3-pyridin-3-ylprop-2-enenitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off