N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C20H12N3O2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C20H12N3O2F3 |
| Smiles | N#Cc(cc1)ccc1-c1ccc(/C=N\NC(c2cccc(C(F)(F)F)c2)=O)o1 |
| InChI | InChI=1S/C20H12F3N3O2/c21-20(22,23)16-3-1-2-15(10-16)19(27)26-25-12-17-8-9-18(28-17)14-6-4-13(11-24)5-7-14/h1-10,12H,(H,26,27) |
| InChIK | NZWPKILZNYTNIH-UHFFFAOYSA-N |
| TotalMolweight | 383.328 |
| Molweight | 383.328 |
| MonoisotopicMass | 383.088161 |
| CLogP | 4.8244 |
| CLogS | -6.732 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 287.61 |
| Relative PSA | 0.22141 |
| PolarSurfaceArea | 78.39 |
| Druglikeness | -5.0017 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| 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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