2-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
Formula:C15H10N2OBrF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide |
| MolecularFormula | C15H10N2OBrF3 |
| Smiles | O=C(c(cccc1)c1Br)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C15H10BrF3N2O/c16-13-4-2-1-3-12(13)14(22)21-20-9-10-5-7-11(8-6-10)15(17,18)19/h1-9H,(H,21,22) |
| InChIK | CGUDFZOJLQLTIS-UHFFFAOYSA-N |
| TotalMolweight | 371.155 |
| Molweight | 371.155 |
| MonoisotopicMass | 369.992858 |
| CLogP | 4.7751 |
| CLogS | -5.333 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 235.08 |
| Relative PSA | 0.15318 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -4.5113 |
| Mutagenic | none |
| 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 | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 2-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide | 2 - 2-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
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