N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
Formula:C16H13N2O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2-hydroxy-2-phenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2-hydroxy-2-phenylacetamide |
| MolecularFormula | C16H13N2O4Cl |
| Smiles | OC(C(N/N=C\c(cc1OCOc1c1)c1Cl)=O)c1ccccc1 |
| InChI | InChI=1S/C16H13ClN2O4/c17-12-7-14-13(22-9-23-14)6-11(12)8-18-19-16(21)15(20)10-4-2-1-3-5-10/h1-8,15,20H,9H2,(H,19,21)/t15-/m1/s1 |
| InChIK | GLSFRISXRPXMNB-OAHLLOKOSA-N |
| TotalMolweight | 332.742 |
| Molweight | 332.742 |
| MonoisotopicMass | 332.056385 |
| CLogP | 2.847 |
| CLogS | -4.585 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 241.52 |
| Relative PSA | 0.28615 |
| PolarSurfaceArea | 80.15 |
| Druglikeness | 5.0564 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
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1 - N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2-hydroxy-2-phenylacetamide | 2 - N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
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