(E)-4-oxo-4-[2-(pyridine-4-carbonyl)hydrazinyl]but-2-enoic acid
Formula:C10H9N3O4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(E)-4-oxo-4-[2-(pyridine-4-carbonyl)hydrazinyl]but-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-oxo-4-[2-(pyridine-4-carbonyl)hydrazinyl]but-2-enoic acid |
| MolecularFormula | C10H9N3O4 |
| Smiles | OC(/C=C/C(NNC(c1ccncc1)=O)=O)=O |
| InChI | InChI=1S/C10H9N3O4/c14-8(1-2-9(15)16)12-13-10(17)7-3-5-11-6-4-7/h1-6H,(H,12,14)(H,13,17)(H,15,16) |
| InChIK | KMNWTBOKOQOBRG-UHFFFAOYSA-N |
| TotalMolweight | 235.198 |
| Molweight | 235.198 |
| MonoisotopicMass | 235.059307 |
| CLogP | -1.4468 |
| CLogS | -1.132 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 181.04 |
| Relative PSA | 0.47564 |
| PolarSurfaceArea | 108.39 |
| Druglikeness | 2.023 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-4-oxo-4-[2-(pyridine-4-carbonyl)hydrazinyl]but-2-enoic acid | 2 - (E)-4-oxo-4-[2-(pyridine-4-carbonyl)hydrazinyl]but-2-enoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off