4-amino-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
Formula:C15H12N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-amino-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide |
| MolecularFormula | C15H12N3OF3 |
| Smiles | Nc(cc1)ccc1C(N/N=C\c1c(C(F)(F)F)cccc1)=O |
| InChI | InChI=1S/C15H12F3N3O/c16-15(17,18)13-4-2-1-3-11(13)9-20-21-14(22)10-5-7-12(19)8-6-10/h1-9H,19H2,(H,21,22) |
| InChIK | VNWCVFGBCHWOOI-UHFFFAOYSA-N |
| TotalMolweight | 307.274 |
| Molweight | 307.274 |
| MonoisotopicMass | 307.093246 |
| CLogP | 3.3726 |
| CLogS | -4.575 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 224.97 |
| Relative PSA | 0.22794 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | -2.7995 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 4-amino-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide | 2 - 4-amino-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
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