N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-naphthalen-1-ylacetamide
Formula:C21H17N2OBr
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C21H17N2OBr |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\C(\Br)=C\c1ccccc1 |
| InChI | InChI=1S/C21H17BrN2O/c22-19(13-16-7-2-1-3-8-16)15-23-24-21(25)14-18-11-6-10-17-9-4-5-12-20(17)18/h1-13,15H,14H2,(H,24,25) |
| InChIK | FFCCFKUAIOQCKB-UHFFFAOYSA-N |
| TotalMolweight | 393.283 |
| Molweight | 393.283 |
| MonoisotopicMass | 392.052424 |
| CLogP | 5.005 |
| CLogS | -6.417 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 278.69 |
| Relative PSA | 0.12921 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -0.74724 |
| Mutagenic | high |
| 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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