2-(4-bromonaphthalen-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Formula:C21H17N2OBr
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-(4-bromonaphthalen-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is not a drug-like molecule.
| MolName | 2-(4-bromonaphthalen-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C21H17N2OBr |
| Smiles | O=C(Cc(c1ccccc11)ccc1Br)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C21H17BrN2O/c22-20-13-12-17(18-10-4-5-11-19(18)20)15-21(25)24-23-14-6-9-16-7-2-1-3-8-16/h1-14H,15H2,(H,24,25) |
| InChIK | UEFTZTXSTCSMEY-UHFFFAOYSA-N |
| TotalMolweight | 393.283 |
| Molweight | 393.283 |
| MonoisotopicMass | 392.052424 |
| CLogP | 5.1376 |
| CLogS | -6.418 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 280.48 |
| Relative PSA | 0.12839 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.609 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-(4-bromonaphthalen-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-(4-bromonaphthalen-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
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