3,4-dichloro-N-[2-oxo-2-[(2Z)-2-[(2-prop-2-ynoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Formula:C19H15N3O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,4-dichloro-N-[2-oxo-2-[(2Z)-2-[(2-prop-2-ynoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide is a drug-like molecule.
| MolName | 3,4-dichloro-N-[2-oxo-2-[(2Z)-2-[(2-prop-2-ynoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide |
| MolecularFormula | C19H15N3O3Cl2 |
| Smiles | C#CCOc1c(/C=N\NC(CNC(c(cc2)cc(Cl)c2Cl)=O)=O)cccc1 |
| InChI | InChI=1S/C19H15Cl2N3O3/c1-2-9-27-17-6-4-3-5-14(17)11-23-24-18(25)12-22-19(26)13-7-8-15(20)16(21)10-13/h1,3-8,10-11H,9,12H2,(H,22,26)(H,24,25) |
| InChIK | FRRDONWUUNEGIG-UHFFFAOYSA-N |
| TotalMolweight | 404.252 |
| Molweight | 404.252 |
| MonoisotopicMass | 403.049046 |
| CLogP | 3.4545 |
| CLogS | -5.602 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 308.37 |
| Relative PSA | 0.22865 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 5.0967 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3,4-dichloro-N-[2-oxo-2-[(2Z)-2-[(2-prop-2-ynoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide | 2 - 3,4-dichloro-N-[2-oxo-2-[(2Z)-2-[(2-prop-2-ynoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off