N'-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide
Formula:C18H10N3O4Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide |
| MolecularFormula | C18H10N3O4Cl3 |
| Smiles | O=C(C(N/N=C\C1=COc(ccc(Cl)c2)c2C1=O)=O)Nc1cccc(Cl)c1Cl |
| InChI | InChI=1S/C18H10Cl3N3O4/c19-10-4-5-14-11(6-10)16(25)9(8-28-14)7-22-24-18(27)17(26)23-13-3-1-2-12(20)15(13)21/h1-8H,(H,23,26)(H,24,27) |
| InChIK | ODOORLWFLASOJV-UHFFFAOYSA-N |
| TotalMolweight | 438.653 |
| Molweight | 438.653 |
| MonoisotopicMass | 436.973688 |
| CLogP | 3.0793 |
| CLogS | -6.283 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 301.42 |
| Relative PSA | 0.27719 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 4.2528 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide | 2 - N'-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off