5-bromo-2-phenylmethoxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
Formula:C23H19N2O2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-bromo-2-phenylmethoxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide is not a drug-like molecule.
| MolName | 5-bromo-2-phenylmethoxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide |
| MolecularFormula | C23H19N2O2Br |
| Smiles | O=C(c(cc(cc1)Br)c1OCc1ccccc1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C23H19BrN2O2/c24-20-13-14-22(28-17-19-10-5-2-6-11-19)21(16-20)23(27)26-25-15-7-12-18-8-3-1-4-9-18/h1-16H,17H2,(H,26,27) |
| InChIK | JPVBQYPETNOYNV-UHFFFAOYSA-N |
| TotalMolweight | 435.32 |
| Molweight | 435.32 |
| MonoisotopicMass | 434.062989 |
| CLogP | 5.2932 |
| CLogS | -6.188 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 315.64 |
| Relative PSA | 0.14577 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.2904 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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