(E)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]but-2-enoic acid
Formula:C11H11N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]but-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]but-2-enoic acid |
| MolecularFormula | C11H11N3O4 |
| Smiles | OC(/C=C/C(NNC(Nc1ccccc1)=O)=O)=O |
| InChI | InChI=1S/C11H11N3O4/c15-9(6-7-10(16)17)13-14-11(18)12-8-4-2-1-3-5-8/h1-7H,(H,13,15)(H,16,17)(H2,12,14,18) |
| InChIK | AQDYTJXWBDIXIH-UHFFFAOYSA-N |
| TotalMolweight | 249.225 |
| Molweight | 249.225 |
| MonoisotopicMass | 249.074957 |
| CLogP | -0.452 |
| CLogS | -2.443 |
| H Acceptors | 7 |
| H Donors | 4 |
| TotalSurfaceArea | 193.74 |
| Relative PSA | 0.44699 |
| PolarSurfaceArea | 107.53 |
| Druglikeness | 2.5049 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]but-2-enoic acid | 2 - (E)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]but-2-enoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off