2-pyrrol-1-yl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
Formula:C19H14N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-pyrrol-1-yl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-pyrrol-1-yl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]benzamide |
| MolecularFormula | C19H14N3OF3 |
| Smiles | O=C(c(cccc1)c1-n1cccc1)N/N=C\c1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C19H14F3N3O/c20-19(21,22)15-7-5-6-14(12-15)13-23-24-18(26)16-8-1-2-9-17(16)25-10-3-4-11-25/h1-13H,(H,24,26) |
| InChIK | AFKIQSGBABRACU-UHFFFAOYSA-N |
| TotalMolweight | 357.334 |
| Molweight | 357.334 |
| MonoisotopicMass | 357.108896 |
| CLogP | 4.2348 |
| CLogS | -6.812 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 265.41 |
| Relative PSA | 0.16156 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | -2.0952 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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