N-[(Z)-(3-bromophenyl)methylideneamino]-2,2-bis(4-chlorophenyl)-2-hydroxyacetamide
Formula:C21H15N2O2BrCl2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-2,2-bis(4-chlorophenyl)-2-hydroxyacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-2,2-bis(4-chlorophenyl)-2-hydroxyacetamide |
| MolecularFormula | C21H15N2O2BrCl2 |
| Smiles | OC(C(N/N=C\c1cccc(Br)c1)=O)(c(cc1)ccc1Cl)c(cc1)ccc1Cl |
| InChI | InChI=1S/C21H15BrCl2N2O2/c22-17-3-1-2-14(12-17)13-25-26-20(27)21(28,15-4-8-18(23)9-5-15)16-6-10-19(24)11-7-16/h1-13,28H,(H,26,27) |
| InChIK | LEDXXILBHUQUOY-UHFFFAOYSA-N |
| TotalMolweight | 478.172 |
| Molweight | 478.172 |
| MonoisotopicMass | 475.969393 |
| CLogP | 5.4191 |
| CLogS | -6.733 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 312.98 |
| Relative PSA | 0.15691 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 3.6715 |
| 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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