N-[(Z)-(3-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
Formula:C15H12N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C15H12N2O4 |
| Smiles | Oc1cccc(/C=N\NC(c(cc2)cc3c2OCO3)=O)c1 |
| InChI | InChI=1S/C15H12N2O4/c18-12-3-1-2-10(6-12)8-16-17-15(19)11-4-5-13-14(7-11)21-9-20-13/h1-8,18H,9H2,(H,17,19) |
| InChIK | XPZJEZKZZXKCEQ-UHFFFAOYSA-N |
| TotalMolweight | 284.27 |
| Molweight | 284.27 |
| MonoisotopicMass | 284.079708 |
| CLogP | 2.9673 |
| CLogS | -4.136 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 213.6 |
| Relative PSA | 0.32355 |
| PolarSurfaceArea | 80.15 |
| Druglikeness | 4.2125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| StereoCon |
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