[(Z)-(2-oxo-1,2-diphenylethylidene)amino] 4-bromobenzoate
Formula:C21H14NO3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-(2-oxo-1,2-diphenylethylidene)amino] 4-bromobenzoate is not a drug-like molecule.
| MolName | [(Z)-(2-oxo-1,2-diphenylethylidene)amino] 4-bromobenzoate |
| MolecularFormula | C21H14NO3Br |
| Smiles | O=C(/C(/c1ccccc1)=N\OC(c(cc1)ccc1Br)=O)c1ccccc1 |
| InChI | InChI=1S/C21H14BrNO3/c22-18-13-11-17(12-14-18)21(25)26-23-19(15-7-3-1-4-8-15)20(24)16-9-5-2-6-10-16/h1-14H |
| InChIK | FZGFYKDAGHDXFN-UHFFFAOYSA-N |
| TotalMolweight | 408.25 |
| Molweight | 408.25 |
| MonoisotopicMass | 407.015705 |
| CLogP | 5.1348 |
| CLogS | -6.281 |
| H Acceptors | 4 |
| TotalSurfaceArea | 279.88 |
| Relative PSA | 0.17004 |
| PolarSurfaceArea | 55.73 |
| Druglikeness | -3.2566 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - [(Z)-(2-oxo-1,2-diphenylethylidene)amino] 4-bromobenzoate | 2 - [(Z)-(2-oxo-1,2-diphenylethylidene)amino] 4-bromobenzoate
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