N-[(Z)-[5-bromo-2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]benzamide
Formula:C25H23N2O3Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[5-bromo-2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-bromo-2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C25H23N2O3Br |
| Smiles | C=CCc(cccc1)c1OCCOc(cc1)c(/C=N\NC(c2ccccc2)=O)cc1Br |
| InChI | InChI=1S/C25H23BrN2O3/c1-2-8-19-9-6-7-12-23(19)30-15-16-31-24-14-13-22(26)17-21(24)18-27-28-25(29)20-10-4-3-5-11-20/h2-7,9-14,17-18H,1,8,15-16H2,(H,28,29) |
| InChIK | MJJQSFFXHFICKZ-UHFFFAOYSA-N |
| TotalMolweight | 479.373 |
| Molweight | 479.373 |
| MonoisotopicMass | 478.089204 |
| CLogP | 6.3102 |
| CLogS | -6.535 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 351.2 |
| Relative PSA | 0.15948 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | -7.4458 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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