2,2-bis(4-chlorophenoxy)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Formula:C27H20N2O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2,2-bis(4-chlorophenoxy)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2,2-bis(4-chlorophenoxy)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C27H20N2O4Cl2 |
| Smiles | O=C(C(Oc(cc1)ccc1Cl)Oc(cc1)ccc1Cl)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C27H20Cl2N2O4/c28-20-9-13-23(14-10-20)34-27(35-24-15-11-21(29)12-16-24)26(32)31-30-18-19-5-4-8-25(17-19)33-22-6-2-1-3-7-22/h1-18,27H,(H,31,32) |
| InChIK | BAERCRIHOKVBST-UHFFFAOYSA-N |
| TotalMolweight | 507.372 |
| Molweight | 507.372 |
| MonoisotopicMass | 506.080012 |
| CLogP | 6.6218 |
| CLogS | -8.541 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 379.85 |
| Relative PSA | 0.17378 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | 4.5419 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 12 |
| StereoCon |
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