(E)-3-(4-bromophenyl)-1-[3-(naphthalen-1-ylmethylideneamino)phenyl]prop-2-en-1-one
Formula:C26H18NOBr
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(4-bromophenyl)-1-[3-(naphthalen-1-ylmethylideneamino)phenyl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(4-bromophenyl)-1-[3-(naphthalen-1-ylmethylideneamino)phenyl]prop-2-en-1-one |
| MolecularFormula | C26H18NOBr |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)c1cc(/N=C/c2cccc3ccccc23)ccc1 |
| InChI | InChI=1S/C26H18BrNO/c27-23-14-11-19(12-15-23)13-16-26(29)21-7-4-9-24(17-21)28-18-22-8-3-6-20-5-1-2-10-25(20)22/h1-18H |
| InChIK | UBZHKOHELMMKJR-UHFFFAOYSA-N |
| TotalMolweight | 440.339 |
| Molweight | 440.339 |
| MonoisotopicMass | 439.057175 |
| CLogP | 6.5972 |
| CLogS | -7.822 |
| H Acceptors | 2 |
| TotalSurfaceArea | 315.02 |
| Relative PSA | 0.077932 |
| PolarSurfaceArea | 29.43 |
| Druglikeness | -0.59356 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 2 |
| StereoCon |
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