2-(3-chloroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
Formula:C13H12N3O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-(3-chloroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3-chloroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide |
| MolecularFormula | C13H12N3O2Cl |
| Smiles | O=C(CNc1cccc(Cl)c1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C13H12ClN3O2/c14-10-3-1-4-11(7-10)15-9-13(18)17-16-8-12-5-2-6-19-12/h1-8,15H,9H2,(H,17,18) |
| InChIK | QPHOLSPXPFUFPP-UHFFFAOYSA-N |
| TotalMolweight | 277.71 |
| Molweight | 277.71 |
| MonoisotopicMass | 277.061804 |
| CLogP | 2.2882 |
| CLogS | -3.961 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 217.32 |
| Relative PSA | 0.28336 |
| PolarSurfaceArea | 66.63 |
| Druglikeness | 4.8731 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(3-chloroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide | 2 - 2-(3-chloroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off