N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2,3-dichlorophenoxy)acetamide
Formula:C22H17N2O3BrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2,3-dichlorophenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2,3-dichlorophenoxy)acetamide |
| MolecularFormula | C22H17N2O3BrCl2 |
| Smiles | O=C(COc(cccc1Cl)c1Cl)N/N=C\c(cccc1)c1OCc(cc1)ccc1Br |
| InChI | InChI=1S/C22H17BrCl2N2O3/c23-17-10-8-15(9-11-17)13-29-19-6-2-1-4-16(19)12-26-27-21(28)14-30-20-7-3-5-18(24)22(20)25/h1-12H,13-14H2,(H,27,28) |
| InChIK | BIHBPPAGZBEMKC-UHFFFAOYSA-N |
| TotalMolweight | 508.198 |
| Molweight | 508.198 |
| MonoisotopicMass | 505.979958 |
| CLogP | 6.0618 |
| CLogS | -7.148 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 343.74 |
| Relative PSA | 0.16294 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 2.4378 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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