N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1H-indole-3-carboxamide
Formula:C16H8N3OF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1H-indole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1H-indole-3-carboxamide |
| MolecularFormula | C16H8N3OF5 |
| Smiles | O=C(c1c[nH]c2c1cccc2)N/N=C\c(c(F)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C16H8F5N3O/c17-11-9(12(18)14(20)15(21)13(11)19)6-23-24-16(25)8-5-22-10-4-2-1-3-7(8)10/h1-6,22H,(H,24,25) |
| InChIK | IFIJBOHESQCLRW-UHFFFAOYSA-N |
| TotalMolweight | 353.25 |
| Molweight | 353.25 |
| MonoisotopicMass | 353.058752 |
| CLogP | 3.745 |
| CLogS | -5.816 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 242.91 |
| Relative PSA | 0.20584 |
| PolarSurfaceArea | 57.25 |
| Druglikeness | 4.1181 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1H-indole-3-carboxamide | 2 - N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1H-indole-3-carboxamide
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