2-carbazol-9-yl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C22H16N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-carbazol-9-yl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-carbazol-9-yl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C22H16N3OF3 |
| Smiles | O=C(Cn1c(cccc2)c2c2c1cccc2)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C22H16F3N3O/c23-22(24,25)16-11-9-15(10-12-16)13-26-27-21(29)14-28-19-7-3-1-5-17(19)18-6-2-4-8-20(18)28/h1-13H,14H2,(H,27,29) |
| InChIK | OIZQIMJIBZWEPX-UHFFFAOYSA-N |
| TotalMolweight | 395.383 |
| Molweight | 395.383 |
| MonoisotopicMass | 395.124546 |
| CLogP | 5.0336 |
| CLogS | -5.655 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 288.61 |
| Relative PSA | 0.14857 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | -1.1518 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 2 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-carbazol-9-yl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-carbazol-9-yl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off