N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dihydroxybenzamide
Formula:C15H12N2O5
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dihydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dihydroxybenzamide |
| MolecularFormula | C15H12N2O5 |
| Smiles | Oc(cc1)cc(O)c1C(N/N=C\c(cc1)cc2c1OCO2)=O |
| InChI | InChI=1S/C15H12N2O5/c18-10-2-3-11(12(19)6-10)15(20)17-16-7-9-1-4-13-14(5-9)22-8-21-13/h1-7,18-19H,8H2,(H,17,20) |
| InChIK | LQNJEUORSFTMLO-UHFFFAOYSA-N |
| TotalMolweight | 300.269 |
| Molweight | 300.269 |
| MonoisotopicMass | 300.074623 |
| CLogP | 2.6216 |
| CLogS | -3.84 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 219.95 |
| Relative PSA | 0.37377 |
| PolarSurfaceArea | 100.38 |
| Druglikeness | 4.2125 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dihydroxybenzamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dihydroxybenzamide
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