N-[(Z)-(2-nitrophenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
Formula:C17H12N5O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-nitrophenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-nitrophenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide |
| MolecularFormula | C17H12N5O3F3 |
| Smiles | [O-][N+](c1c(/C=N\NC(Cn2c(cccc3)c3nc2C(F)(F)F)=O)cccc1)=O |
| InChI | InChI=1S/C17H12F3N5O3/c18-17(19,20)16-22-12-6-2-4-8-14(12)24(16)10-15(26)23-21-9-11-5-1-3-7-13(11)25(27)28/h1-9H,10H2,(H,23,26) |
| InChIK | WLOFUMSFPSLAMI-UHFFFAOYSA-N |
| TotalMolweight | 391.308 |
| Molweight | 391.308 |
| MonoisotopicMass | 391.089224 |
| CLogP | 2.0744 |
| CLogS | -3.584 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 276.44 |
| Relative PSA | 0.30484 |
| PolarSurfaceArea | 105.1 |
| Druglikeness | -8.7462 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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