N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
Formula:C21H16N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide |
| MolecularFormula | C21H16N3O4Cl |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(C(c2ccccc2)(c2ccccc2)O)=O)c1Cl)=O |
| InChI | InChI=1S/C21H16ClN3O4/c22-19-12-11-18(25(28)29)13-15(19)14-23-24-20(26)21(27,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,27H,(H,24,26) |
| InChIK | YYNCUIJLMCYNOS-UHFFFAOYSA-N |
| TotalMolweight | 409.828 |
| Molweight | 409.828 |
| MonoisotopicMass | 409.082934 |
| CLogP | 3.1663 |
| CLogS | -5.623 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 302.6 |
| Relative PSA | 0.26282 |
| PolarSurfaceArea | 107.51 |
| Druglikeness | 0.35128 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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