N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-4-fluorobenzamide
Formula:C16H14N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-4-fluorobenzamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-4-fluorobenzamide |
| MolecularFormula | C16H14N3O2F |
| Smiles | O=C(CNC(c(cc1)ccc1F)=O)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C16H14FN3O2/c17-14-8-6-13(7-9-14)16(22)18-11-15(21)20-19-10-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,22)(H,20,21) |
| InChIK | NZRUJEILYHVKFH-UHFFFAOYSA-N |
| TotalMolweight | 299.304 |
| Molweight | 299.304 |
| MonoisotopicMass | 299.107005 |
| CLogP | 2.3861 |
| CLogS | -3.802 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 236.31 |
| Relative PSA | 0.25606 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.9887 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-4-fluorobenzamide | 2 - N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-4-fluorobenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off