2,2-bis(4-chlorophenyl)-N-[(Z)-(3-fluorophenyl)methylideneamino]-2-hydroxyacetamide
Formula:C21H15N2O2Cl2F
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2,2-bis(4-chlorophenyl)-N-[(Z)-(3-fluorophenyl)methylideneamino]-2-hydroxyacetamide is a drug-like molecule.
| MolName | 2,2-bis(4-chlorophenyl)-N-[(Z)-(3-fluorophenyl)methylideneamino]-2-hydroxyacetamide |
| MolecularFormula | C21H15N2O2Cl2F |
| Smiles | OC(C(N/N=C\c1cc(F)ccc1)=O)(c(cc1)ccc1Cl)c(cc1)ccc1Cl |
| InChI | InChI=1S/C21H15Cl2FN2O2/c22-17-8-4-15(5-9-17)21(28,16-6-10-18(23)11-7-16)20(27)26-25-13-14-2-1-3-19(24)12-14/h1-13,28H,(H,26,27) |
| InChIK | OQGPACMSNMCAQC-UHFFFAOYSA-N |
| TotalMolweight | 417.266 |
| Molweight | 417.266 |
| MonoisotopicMass | 416.04946 |
| CLogP | 4.7947 |
| CLogS | -6.213 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 300.7 |
| Relative PSA | 0.16332 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 4.1215 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 9 |
| StereoCon |
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