2-(2-bromo-4-chloroanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
Formula:C14H12N4OBrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2-bromo-4-chloroanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2-bromo-4-chloroanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide |
| MolecularFormula | C14H12N4OBrCl |
| Smiles | O=C(CNc(ccc(Cl)c1)c1Br)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C14H12BrClN4O/c15-12-7-11(16)1-2-13(12)18-9-14(21)20-19-8-10-3-5-17-6-4-10/h1-8,18H,9H2,(H,20,21) |
| InChIK | ZCGZTHFMHFPQJC-UHFFFAOYSA-N |
| TotalMolweight | 367.633 |
| Molweight | 367.633 |
| MonoisotopicMass | 365.988299 |
| CLogP | 2.8238 |
| CLogS | -4.318 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 245.02 |
| Relative PSA | 0.23851 |
| PolarSurfaceArea | 66.38 |
| Druglikeness | 3.2557 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(2-bromo-4-chloroanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide | 2 - 2-(2-bromo-4-chloroanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
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