(E)-3-(2-chlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)prop-2-enamide
Formula:C11H12N3O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-chlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-chlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)prop-2-enamide |
| MolecularFormula | C11H12N3O2Cl |
| Smiles | NNC(CNC(/C=C/c(cccc1)c1Cl)=O)=O |
| InChI | InChI=1S/C11H12ClN3O2/c12-9-4-2-1-3-8(9)5-6-10(16)14-7-11(17)15-13/h1-6H,7,13H2,(H,14,16)(H,15,17) |
| InChIK | HEOLUOMHKLFWSC-UHFFFAOYSA-N |
| TotalMolweight | 253.688 |
| Molweight | 253.688 |
| MonoisotopicMass | 253.061804 |
| CLogP | 0.0017002 |
| CLogS | -2.855 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 195.88 |
| Relative PSA | 0.32811 |
| PolarSurfaceArea | 84.22 |
| Druglikeness | -5.295 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | hydrazine |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(2-chlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)prop-2-enamide | 2 - (E)-3-(2-chlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off