N'-[(Z)-(4-chlorophenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide
Formula:C15H13N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-chlorophenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-chlorophenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide |
| MolecularFormula | C15H13N4O2Cl |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1Cl)=O)NCc1ncccc1 |
| InChI | InChI=1S/C15H13ClN4O2/c16-12-6-4-11(5-7-12)9-19-20-15(22)14(21)18-10-13-3-1-2-8-17-13/h1-9H,10H2,(H,18,21)(H,20,22) |
| InChIK | IWUUIDVKUNDQEG-UHFFFAOYSA-N |
| TotalMolweight | 316.747 |
| Molweight | 316.747 |
| MonoisotopicMass | 316.072703 |
| CLogP | 1.5124 |
| CLogS | -3.306 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 244.14 |
| Relative PSA | 0.29278 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | 4.0659 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-(4-chlorophenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide | 2 - N'-[(Z)-(4-chlorophenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off