(1Z)-2-(2-chloroanilino)-2-oxo-N-phenylethanehydrazonoyl chloride
Formula:C14H11N3OCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(1Z)-2-(2-chloroanilino)-2-oxo-N-phenylethanehydrazonoyl chloride is a drug-like molecule.
| MolName | (1Z)-2-(2-chloroanilino)-2-oxo-N-phenylethanehydrazonoyl chloride |
| MolecularFormula | C14H11N3OCl2 |
| Smiles | O=C(/C(/Cl)=N/Nc1ccccc1)Nc(cccc1)c1Cl |
| InChI | InChI=1S/C14H11Cl2N3O/c15-11-8-4-5-9-12(11)17-14(20)13(16)19-18-10-6-2-1-3-7-10/h1-9,18H,(H,17,20) |
| InChIK | ZNWWYDBUQCQAJY-UHFFFAOYSA-N |
| TotalMolweight | 308.167 |
| Molweight | 308.167 |
| MonoisotopicMass | 307.027916 |
| CLogP | 4.3229 |
| CLogS | -3.454 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 227.5 |
| Relative PSA | 0.20866 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 1.9398 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-halogenide type |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (1Z)-2-(2-chloroanilino)-2-oxo-N-phenylethanehydrazonoyl chloride | 2 - (1Z)-2-(2-chloroanilino)-2-oxo-N-phenylethanehydrazonoyl chloride
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off