2-[3-[(Z)-[[2-(2-iodophenoxy)acetyl]hydrazinylidene]methyl]indol-1-yl]acetamide
Formula:C19H17N4O3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-[[2-(2-iodophenoxy)acetyl]hydrazinylidene]methyl]indol-1-yl]acetamide is a drug-like molecule.
| MolName | 2-[3-[(Z)-[[2-(2-iodophenoxy)acetyl]hydrazinylidene]methyl]indol-1-yl]acetamide |
| MolecularFormula | C19H17N4O3I |
| Smiles | NC(Cn1c(cccc2)c2c(/C=N\NC(COc(cccc2)c2I)=O)c1)=O |
| InChI | InChI=1S/C19H17IN4O3/c20-15-6-2-4-8-17(15)27-12-19(26)23-22-9-13-10-24(11-18(21)25)16-7-3-1-5-14(13)16/h1-10H,11-12H2,(H2,21,25)(H,23,26) |
| InChIK | NNYYIBGTLGIZLW-UHFFFAOYSA-N |
| TotalMolweight | 476.269 |
| Molweight | 476.269 |
| MonoisotopicMass | 476.034539 |
| CLogP | 1.9677 |
| CLogS | -4.261 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 300.86 |
| Relative PSA | 0.26986 |
| PolarSurfaceArea | 98.71 |
| Druglikeness | 7.2978 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[3-[(Z)-[[2-(2-iodophenoxy)acetyl]hydrazinylidene]methyl]indol-1-yl]acetamide | 2 - 2-[3-[(Z)-[[2-(2-iodophenoxy)acetyl]hydrazinylidene]methyl]indol-1-yl]acetamide
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