(E)-4-oxo-4-(pyridin-3-ylamino)but-2-enoate
Formula:C9H7N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-oxo-4-(pyridin-3-ylamino)but-2-enoate is a drug-like molecule.
| MolName | (E)-4-oxo-4-(pyridin-3-ylamino)but-2-enoate |
| MolecularFormula | C9H7N2O3 |
| Smiles | [O-]C(/C=C/C(Nc1cnccc1)=O)=O |
| InChI | InChI=1S/C9H8N2O3/c12-8(3-4-9(13)14)11-7-2-1-5-10-6-7/h1-6H,(H,11,12)(H,13,14)/p-1 |
| InChIK | DVKSJLWFAOFXDM-UHFFFAOYSA-M |
| TotalMolweight | 191.166 |
| Molweight | 191.166 |
| MonoisotopicMass | 191.045668 |
| CLogP | -2.3333 |
| CLogS | -0.95 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 153.01 |
| Relative PSA | 0.41037 |
| PolarSurfaceArea | 82.12 |
| Druglikeness | -0.13705 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-4-oxo-4-(pyridin-3-ylamino)but-2-enoate | 2 - (E)-4-oxo-4-(pyridin-3-ylamino)but-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off