N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C19H12N2O2ClF3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C19H12N2O2ClF3S |
| Smiles | O=C(c1cc(C(F)(F)F)ccc1)N/N=C\c(o1)ccc1Sc(cc1)ccc1Cl |
| InChI | InChI=1S/C19H12ClF3N2O2S/c20-14-4-7-16(8-5-14)28-17-9-6-15(27-17)11-24-25-18(26)12-2-1-3-13(10-12)19(21,22)23/h1-11H,(H,25,26) |
| InChIK | QRFOQOGWDMQOQL-UHFFFAOYSA-N |
| TotalMolweight | 424.829 |
| Molweight | 424.829 |
| MonoisotopicMass | 424.026009 |
| CLogP | 5.7631 |
| CLogS | -6.466 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 298.81 |
| Relative PSA | 0.22626 |
| PolarSurfaceArea | 79.9 |
| Druglikeness | -0.4749 |
| 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 | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide | 2 - N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off