N-[(Z)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-fluoroaniline
Formula:C18H11N2OClF4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-fluoroaniline is not a drug-like molecule.
| MolName | N-[(Z)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-fluoroaniline |
| MolecularFormula | C18H11N2OClF4 |
| Smiles | FC(c(cc1)cc(-c2ccc(/C=N\Nc(cc3)ccc3F)o2)c1Cl)(F)F |
| InChI | InChI=1S/C18H11ClF4N2O/c19-16-7-1-11(18(21,22)23)9-15(16)17-8-6-14(26-17)10-24-25-13-4-2-12(20)3-5-13/h1-10,25H |
| InChIK | INEKVJBCTQYZOB-UHFFFAOYSA-N |
| TotalMolweight | 382.743 |
| Molweight | 382.743 |
| MonoisotopicMass | 382.049602 |
| CLogP | 7.3349 |
| CLogS | -6.437 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 269.92 |
| Relative PSA | 0.13737 |
| PolarSurfaceArea | 37.53 |
| Druglikeness | -2.7914 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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