2-(benzotriazol-1-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide
Formula:C15H12N5OBr
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(benzotriazol-1-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(benzotriazol-1-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H12N5OBr |
| Smiles | O=C(Cn1nnc2c1cccc2)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C15H12BrN5O/c16-12-7-5-11(6-8-12)9-17-19-15(22)10-21-14-4-2-1-3-13(14)18-20-21/h1-9H,10H2,(H,19,22) |
| InChIK | ZEEJSLIRVHFKEW-UHFFFAOYSA-N |
| TotalMolweight | 358.198 |
| Molweight | 358.198 |
| MonoisotopicMass | 357.022521 |
| CLogP | 2.5687 |
| CLogS | -4.174 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 240.7 |
| Relative PSA | 0.2693 |
| PolarSurfaceArea | 72.17 |
| Druglikeness | -0.54569 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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