N-phenyl-2-[3-[(Z)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide
Formula:C19H16N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-phenyl-2-[3-[(Z)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide is a drug-like molecule.
| MolName | N-phenyl-2-[3-[(Z)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide |
| MolecularFormula | C19H16N6O |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=N\n2cnnc2)c1)Nc1ccccc1 |
| InChI | InChI=1S/C19H16N6O/c26-19(23-16-6-2-1-3-7-16)12-24-11-15(10-22-25-13-20-21-14-25)17-8-4-5-9-18(17)24/h1-11,13-14H,12H2,(H,23,26) |
| InChIK | INISYZKZPWEPBE-UHFFFAOYSA-N |
| TotalMolweight | 344.377 |
| Molweight | 344.377 |
| MonoisotopicMass | 344.138559 |
| CLogP | 2.0426 |
| CLogS | -5.477 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 271.03 |
| Relative PSA | 0.26451 |
| PolarSurfaceArea | 77.1 |
| Druglikeness | 6.2016 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-phenyl-2-[3-[(Z)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide | 2 - N-phenyl-2-[3-[(Z)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide
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