N-[(E)-[(4-fluorophenyl)-phenylmethylidene]amino]-1H-indole-2-carboxamide
Formula:C22H16N3OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[(4-fluorophenyl)-phenylmethylidene]amino]-1H-indole-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-[(4-fluorophenyl)-phenylmethylidene]amino]-1H-indole-2-carboxamide |
| MolecularFormula | C22H16N3OF |
| Smiles | O=C(c1cc(cccc2)c2[nH]1)N/N=C(\c1ccccc1)/c(cc1)ccc1F |
| InChI | InChI=1S/C22H16FN3O/c23-18-12-10-16(11-13-18)21(15-6-2-1-3-7-15)25-26-22(27)20-14-17-8-4-5-9-19(17)24-20/h1-14,24H,(H,26,27) |
| InChIK | SSEXRPGXNURGHH-UHFFFAOYSA-N |
| TotalMolweight | 357.387 |
| Molweight | 357.387 |
| MonoisotopicMass | 357.12774 |
| CLogP | 4.5925 |
| CLogS | -6.36 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 275.48 |
| Relative PSA | 0.1815 |
| PolarSurfaceArea | 57.25 |
| Druglikeness | 3.2964 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(E)-[(4-fluorophenyl)-phenylmethylidene]amino]-1H-indole-2-carboxamide | 2 - N-[(E)-[(4-fluorophenyl)-phenylmethylidene]amino]-1H-indole-2-carboxamide
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