N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-2-iodobenzamide
Formula:C16H14N3O2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-2-iodobenzamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-2-iodobenzamide |
| MolecularFormula | C16H14N3O2I |
| Smiles | O=C(CNC(c(cccc1)c1I)=O)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C16H14IN3O2/c17-14-9-5-4-8-13(14)16(22)18-11-15(21)20-19-10-12-6-2-1-3-7-12/h1-10H,11H2,(H,18,22)(H,20,21) |
| InChIK | KKWMQYSUTUOHPN-UHFFFAOYSA-N |
| TotalMolweight | 407.206 |
| Molweight | 407.206 |
| MonoisotopicMass | 407.013075 |
| CLogP | 2.7224 |
| CLogS | -4.504 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 256.24 |
| Relative PSA | 0.23615 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 5.7402 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| 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 | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-2-iodobenzamide | 2 - N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-2-iodobenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off