2-indol-1-yl-N-[(E)-[[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methylidene]amino]acetamide
Formula:C25H17N3OF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-indol-1-yl-N-[(E)-[[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methylidene]amino]acetamide is not a drug-like molecule.
| MolName | 2-indol-1-yl-N-[(E)-[[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methylidene]amino]acetamide |
| MolecularFormula | C25H17N3OF6 |
| Smiles | O=C(Cn(cc1)c2c1cccc2)N/N=C(\c1ccc(C(F)(F)F)cc1)/c1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C25H17F6N3O/c26-24(27,28)19-10-8-17(9-11-19)23(18-5-3-6-20(14-18)25(29,30)31)33-32-22(35)15-34-13-12-16-4-1-2-7-21(16)34/h1-14H,15H2,(H,32,35) |
| InChIK | VDEIDPOVGVGXGW-UHFFFAOYSA-N |
| TotalMolweight | 489.418 |
| Molweight | 489.418 |
| MonoisotopicMass | 489.12758 |
| CLogP | 5.7617 |
| CLogS | -6.708 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 341.44 |
| Relative PSA | 0.12559 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | -2.1005 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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