N-[(Z)-(2,6-difluorophenyl)methylideneamino]-1H-indole-3-carboxamide
Formula:C16H11N3OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-1H-indole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2,6-difluorophenyl)methylideneamino]-1H-indole-3-carboxamide |
| MolecularFormula | C16H11N3OF2 |
| Smiles | O=C(c1c[nH]c2c1cccc2)N/N=C\c(c(F)ccc1)c1F |
| InChI | InChI=1S/C16H11F2N3O/c17-13-5-3-6-14(18)12(13)9-20-21-16(22)11-8-19-15-7-2-1-4-10(11)15/h1-9,19H,(H,21,22) |
| InChIK | SIIWCHXCVZVSNY-UHFFFAOYSA-N |
| TotalMolweight | 299.279 |
| Molweight | 299.279 |
| MonoisotopicMass | 299.087018 |
| CLogP | 3.4426 |
| CLogS | -4.874 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 223.86 |
| Relative PSA | 0.22335 |
| PolarSurfaceArea | 57.25 |
| Druglikeness | 4.1181 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2,6-difluorophenyl)methylideneamino]-1H-indole-3-carboxamide | 2 - N-[(Z)-(2,6-difluorophenyl)methylideneamino]-1H-indole-3-carboxamide
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