N-[(Z)-(2-chloro-5-phenylfuran-3-yl)methylideneamino]aniline
Formula:C17H13N2OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-chloro-5-phenylfuran-3-yl)methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-5-phenylfuran-3-yl)methylideneamino]aniline |
| MolecularFormula | C17H13N2OCl |
| Smiles | Clc1c(/C=N\Nc2ccccc2)cc(-c2ccccc2)o1 |
| InChI | InChI=1S/C17H13ClN2O/c18-17-14(12-19-20-15-9-5-2-6-10-15)11-16(21-17)13-7-3-1-4-8-13/h1-12,20H |
| InChIK | GXSAWYDGYVJUOX-UHFFFAOYSA-N |
| TotalMolweight | 296.756 |
| Molweight | 296.756 |
| MonoisotopicMass | 296.07164 |
| CLogP | 6.4292 |
| CLogS | -5.084 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 234.11 |
| Relative PSA | 0.15839 |
| PolarSurfaceArea | 37.53 |
| Druglikeness | 0.12437 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(Z)-(2-chloro-5-phenylfuran-3-yl)methylideneamino]aniline | 2 - N-[(Z)-(2-chloro-5-phenylfuran-3-yl)methylideneamino]aniline
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