N-(3,4-dichlorophenyl)-N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide
Formula:C19H13N3O2Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-(3,4-dichlorophenyl)-N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-(3,4-dichlorophenyl)-N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide |
| MolecularFormula | C19H13N3O2Cl2 |
| Smiles | O=C(C(N/N=C\c1cccc2ccccc12)=O)Nc(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C19H13Cl2N3O2/c20-16-9-8-14(10-17(16)21)23-18(25)19(26)24-22-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-11H,(H,23,25)(H,24,26) |
| InChIK | PVGYLFRSXWWXKG-UHFFFAOYSA-N |
| TotalMolweight | 386.237 |
| Molweight | 386.237 |
| MonoisotopicMass | 385.038481 |
| CLogP | 4.5503 |
| CLogS | -6.603 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 281.64 |
| Relative PSA | 0.21485 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.76 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-(3,4-dichlorophenyl)-N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide | 2 - N-(3,4-dichlorophenyl)-N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off