N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-hydroxybutanamide
Formula:C12H14N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-hydroxybutanamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-hydroxybutanamide |
| MolecularFormula | C12H14N2O4 |
| Smiles | OCCCC(N/N=C\c(cc1)cc2c1OCO2)=O |
| InChI | InChI=1S/C12H14N2O4/c15-5-1-2-12(16)14-13-7-9-3-4-10-11(6-9)18-8-17-10/h3-4,6-7,15H,1-2,5,8H2,(H,14,16) |
| InChIK | JTQANIYDMGSIFS-UHFFFAOYSA-N |
| TotalMolweight | 250.253 |
| Molweight | 250.253 |
| MonoisotopicMass | 250.095358 |
| CLogP | 1.8513 |
| CLogS | -3.295 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 195.12 |
| Relative PSA | 0.35419 |
| PolarSurfaceArea | 80.15 |
| Druglikeness | -1.5113 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-hydroxybutanamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-hydroxybutanamide
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