3,4-dichloro-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]aniline
Formula:C17H11N2OCl2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
3,4-dichloro-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]aniline is not a drug-like molecule.
| MolName | 3,4-dichloro-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]aniline |
| MolecularFormula | C17H11N2OCl2F |
| Smiles | Fc(cc1)ccc1-c1ccc(/C=N\Nc(cc2)cc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C17H11Cl2FN2O/c18-15-7-5-13(9-16(15)19)22-21-10-14-6-8-17(23-14)11-1-3-12(20)4-2-11/h1-10,22H |
| InChIK | RUNPAEVVMGKJQS-UHFFFAOYSA-N |
| TotalMolweight | 349.191 |
| Molweight | 349.191 |
| MonoisotopicMass | 348.023245 |
| CLogP | 7.0926 |
| CLogS | -6.395 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 255.88 |
| Relative PSA | 0.14491 |
| PolarSurfaceArea | 37.53 |
| Druglikeness | 3.0586 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3,4-dichloro-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]aniline | 2 - 3,4-dichloro-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off