N-[(Z)-pyridin-3-ylmethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
Formula:C16H12N5OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-3-ylmethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-pyridin-3-ylmethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide |
| MolecularFormula | C16H12N5OF3 |
| Smiles | O=C(Cn1c(cccc2)c2nc1C(F)(F)F)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C16H12F3N5O/c17-16(18,19)15-22-12-5-1-2-6-13(12)24(15)10-14(25)23-21-9-11-4-3-7-20-8-11/h1-9H,10H2,(H,23,25) |
| InChIK | OEPHAGHOPSIHEI-UHFFFAOYSA-N |
| TotalMolweight | 347.299 |
| Molweight | 347.299 |
| MonoisotopicMass | 347.099394 |
| CLogP | 2.1655 |
| CLogS | -2.329 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 251.53 |
| Relative PSA | 0.2577 |
| PolarSurfaceArea | 72.17 |
| Druglikeness | -3.6055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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