N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(trifluoromethyl)benzamide
Formula:C15H11N2O2F3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C15H11N2O2F3 |
| Smiles | O=C(c1cccc(C(F)(F)F)c1)N/N=C\C=C\c1ccco1 |
| InChI | InChI=1S/C15H11F3N2O2/c16-15(17,18)12-5-1-4-11(10-12)14(21)20-19-8-2-6-13-7-3-9-22-13/h1-10H,(H,20,21) |
| InChIK | LIAICBICUUNTMU-UHFFFAOYSA-N |
| TotalMolweight | 308.258 |
| Molweight | 308.258 |
| MonoisotopicMass | 308.077262 |
| CLogP | 3.2569 |
| CLogS | -4.473 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 232.64 |
| Relative PSA | 0.21544 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | -3.0266 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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