2-[3-[(Z)-(phenylhydrazinylidene)methyl]indol-1-yl]acetamide
Formula:C17H16N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[3-[(Z)-(phenylhydrazinylidene)methyl]indol-1-yl]acetamide is a drug-like molecule.
| MolName | 2-[3-[(Z)-(phenylhydrazinylidene)methyl]indol-1-yl]acetamide |
| MolecularFormula | C17H16N4O |
| Smiles | NC(Cn1c(cccc2)c2c(/C=N\Nc2ccccc2)c1)=O |
| InChI | InChI=1S/C17H16N4O/c18-17(22)12-21-11-13(15-8-4-5-9-16(15)21)10-19-20-14-6-2-1-3-7-14/h1-11,20H,12H2,(H2,18,22) |
| InChIK | PLKABRSIKKYDEO-UHFFFAOYSA-N |
| TotalMolweight | 292.341 |
| Molweight | 292.341 |
| MonoisotopicMass | 292.132411 |
| CLogP | 3.595 |
| CLogS | -2.893 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 233.07 |
| Relative PSA | 0.2495 |
| PolarSurfaceArea | 72.41 |
| Druglikeness | 5.2956 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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