N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-hydroxybutanamide
Formula:C11H12N2O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-hydroxybutanamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-hydroxybutanamide |
| MolecularFormula | C11H12N2O2Cl2 |
| Smiles | OCCCC(N/N=C\c(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C11H12Cl2N2O2/c12-9-4-3-8(10(13)6-9)7-14-15-11(17)2-1-5-16/h3-4,6-7,16H,1-2,5H2,(H,15,17) |
| InChIK | YPLDSKMSDNGYRH-UHFFFAOYSA-N |
| TotalMolweight | 275.134 |
| Molweight | 275.134 |
| MonoisotopicMass | 274.027582 |
| CLogP | 2.9519 |
| CLogS | -4.056 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 205.7 |
| Relative PSA | 0.23875 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | -1.3621 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76471 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-hydroxybutanamide | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-hydroxybutanamide
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