2-hydroxy-N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide
Formula:C18H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-hydroxy-N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide is a drug-like molecule.
| MolName | 2-hydroxy-N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide |
| MolecularFormula | C18H17N3O3 |
| Smiles | Oc(cccc1)c1C(NCC(N/N=C\C=C\c1ccccc1)=O)=O |
| InChI | InChI=1S/C18H17N3O3/c22-16-11-5-4-10-15(16)18(24)19-13-17(23)21-20-12-6-9-14-7-2-1-3-8-14/h1-12,22H,13H2,(H,19,24)(H,21,23) |
| InChIK | NXKSVBGUTKCMDU-UHFFFAOYSA-N |
| TotalMolweight | 323.351 |
| Molweight | 323.351 |
| MonoisotopicMass | 323.126992 |
| CLogP | 1.9579 |
| CLogS | -3.484 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 262.81 |
| Relative PSA | 0.28009 |
| PolarSurfaceArea | 90.79 |
| Druglikeness | 5.3651 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-hydroxy-N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide | 2 - 2-hydroxy-N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off