[(Z)-furan-2-ylmethylideneamino] 4-(2,4-dichlorophenoxy)butanoate
Formula:C15H13NO4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(Z)-furan-2-ylmethylideneamino] 4-(2,4-dichlorophenoxy)butanoate is a drug-like molecule.
| MolName | [(Z)-furan-2-ylmethylideneamino] 4-(2,4-dichlorophenoxy)butanoate |
| MolecularFormula | C15H13NO4Cl2 |
| Smiles | O=C(CCCOc(ccc(Cl)c1)c1Cl)O/N=C\c1ccco1 |
| InChI | InChI=1S/C15H13Cl2NO4/c16-11-5-6-14(13(17)9-11)21-8-2-4-15(19)22-18-10-12-3-1-7-20-12/h1,3,5-7,9-10H,2,4,8H2 |
| InChIK | PCZOWXFWZXMNND-UHFFFAOYSA-N |
| TotalMolweight | 342.177 |
| Molweight | 342.177 |
| MonoisotopicMass | 341.022163 |
| CLogP | 4.8025 |
| CLogS | -5.245 |
| H Acceptors | 5 |
| TotalSurfaceArea | 257.34 |
| Relative PSA | 0.22795 |
| PolarSurfaceArea | 61.03 |
| Druglikeness | -8.8253 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-furan-2-ylmethylideneamino] 4-(2,4-dichlorophenoxy)butanoate | 2 - [(Z)-furan-2-ylmethylideneamino] 4-(2,4-dichlorophenoxy)butanoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off