N-(4-fluorophenyl)-2-[3-[(Z)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]indol-1-yl]acetamide
Formula:C22H17N6O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-fluorophenyl)-2-[3-[(Z)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]indol-1-yl]acetamide is a drug-like molecule.
| MolName | N-(4-fluorophenyl)-2-[3-[(Z)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]indol-1-yl]acetamide |
| MolecularFormula | C22H17N6O3F |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C\c1cn(CC(Nc(cc2)ccc2F)=O)c2c1cccc2)=O |
| InChI | InChI=1S/C22H17FN6O3/c23-16-5-7-17(8-6-16)26-22(30)14-28-13-15(19-3-1-2-4-20(19)28)11-25-27-21-10-9-18(12-24-21)29(31)32/h1-13H,14H2,(H,24,27)(H,26,30) |
| InChIK | DTLVPMYMZAHKOX-UHFFFAOYSA-N |
| TotalMolweight | 432.414 |
| Molweight | 432.414 |
| MonoisotopicMass | 432.134617 |
| CLogP | 4.1849 |
| CLogS | -4.82 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 324.55 |
| Relative PSA | 0.29496 |
| PolarSurfaceArea | 117.13 |
| Druglikeness | -1.0279 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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