N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]aniline
Formula:C17H12N2OCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]aniline |
| MolecularFormula | C17H12N2OCl2 |
| Smiles | Clc(ccc(-c1ccc(/C=N\Nc2ccccc2)o1)c1)c1Cl |
| InChI | InChI=1S/C17H12Cl2N2O/c18-15-8-6-12(10-16(15)19)17-9-7-14(22-17)11-20-21-13-4-2-1-3-5-13/h1-11,21H |
| InChIK | MMPPVVTTZHVPFY-UHFFFAOYSA-N |
| TotalMolweight | 331.201 |
| Molweight | 331.201 |
| MonoisotopicMass | 330.032667 |
| CLogP | 6.9918 |
| CLogS | -6.081 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 249.53 |
| Relative PSA | 0.1486 |
| PolarSurfaceArea | 37.53 |
| Druglikeness | 4.3986 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| StereoCon |
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