N-(2-chlorophenyl)-N'-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]oxamide
Formula:C18H12N4O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-chlorophenyl)-N'-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(2-chlorophenyl)-N'-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]oxamide |
| MolecularFormula | C18H12N4O2Cl2 |
| Smiles | O=C(C(N/N=C\c1cc2ccccc2nc1Cl)=O)Nc(cccc1)c1Cl |
| InChI | InChI=1S/C18H12Cl2N4O2/c19-13-6-2-4-8-15(13)23-17(25)18(26)24-21-10-12-9-11-5-1-3-7-14(11)22-16(12)20/h1-10H,(H,23,25)(H,24,26) |
| InChIK | CVTQMWKYEJVUQK-UHFFFAOYSA-N |
| TotalMolweight | 387.225 |
| Molweight | 387.225 |
| MonoisotopicMass | 386.03373 |
| CLogP | 3.7693 |
| CLogS | -5.466 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 280.4 |
| Relative PSA | 0.25492 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | 3.76 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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