N-[(Z)-[5-bromo-2-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylideneamino]benzamide
Formula:C28H29N2O3Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[5-bromo-2-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-bromo-2-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C28H29N2O3Br |
| Smiles | O=C(c1ccccc1)N/N=C\c(cc(cc1)Br)c1OCCOc1ccc(C2CCCCC2)cc1 |
| InChI | InChI=1S/C28H29BrN2O3/c29-25-13-16-27(24(19-25)20-30-31-28(32)23-9-5-2-6-10-23)34-18-17-33-26-14-11-22(12-15-26)21-7-3-1-4-8-21/h2,5-6,9-16,19-21H,1,3-4,7-8,17-18H2,(H,31,32) |
| InChIK | FWILYGKVGNFJRT-UHFFFAOYSA-N |
| TotalMolweight | 521.453 |
| Molweight | 521.453 |
| MonoisotopicMass | 520.136154 |
| CLogP | 7.4186 |
| CLogS | -7.59 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 380.7 |
| Relative PSA | 0.14712 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | -9.4813 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| StereoCon |
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