N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-2-chlorobenzamide
Formula:C16H14N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-2-chlorobenzamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-2-chlorobenzamide |
| MolecularFormula | C16H14N3O2Cl |
| Smiles | O=C(CNC(c(cccc1)c1Cl)=O)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C16H14ClN3O2/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 | HJEJTIDFOXQKRI-UHFFFAOYSA-N |
| TotalMolweight | 315.759 |
| Molweight | 315.759 |
| MonoisotopicMass | 315.077454 |
| CLogP | 2.8913 |
| CLogS | -4.224 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 245.38 |
| Relative PSA | 0.2466 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 5.3537 |
| 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-chlorobenzamide | 2 - N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-2-chlorobenzamide
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