2-(benzotriazol-1-yl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide
Formula:C15H11N5OCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
2-(benzotriazol-1-yl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(benzotriazol-1-yl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H11N5OCl2 |
| Smiles | O=C(Cn1nnc2c1cccc2)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C15H11Cl2N5O/c16-11-4-3-5-12(17)10(11)8-18-20-15(23)9-22-14-7-2-1-6-13(14)19-21-22/h1-8H,9H2,(H,20,23) |
| InChIK | FYEQAZAEKRADGR-UHFFFAOYSA-N |
| TotalMolweight | 348.192 |
| Molweight | 348.192 |
| MonoisotopicMass | 347.034064 |
| CLogP | 3.0555 |
| CLogS | -4.812 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 252.91 |
| Relative PSA | 0.2563 |
| PolarSurfaceArea | 72.17 |
| Druglikeness | 1.2501 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 2-(benzotriazol-1-yl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide | 2 - 2-(benzotriazol-1-yl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide
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