N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide
Formula:C21H13N2O2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide |
| MolecularFormula | C21H13N2O2F3 |
| Smiles | O=C(c1cc(c2ccccc2cc2)c2o1)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C21H13F3N2O2/c22-21(23,24)15-8-5-13(6-9-15)12-25-26-20(27)19-11-17-16-4-2-1-3-14(16)7-10-18(17)28-19/h1-12H,(H,26,27) |
| InChIK | KGMMSNNBRACMEQ-UHFFFAOYSA-N |
| TotalMolweight | 382.34 |
| Molweight | 382.34 |
| MonoisotopicMass | 382.092912 |
| CLogP | 5.7499 |
| CLogS | -7.288 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 275.34 |
| Relative PSA | 0.18203 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | -2.5087 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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