N-[2,3-dihydro-1,4-benzodioxin-6-yl-[(2Z,3E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-hydroxyiminocyclohexyl]methyl]hydroxylamine
Formula:C24H26N2O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[2,3-dihydro-1,4-benzodioxin-6-yl-[(2Z,3E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-hydroxyiminocyclohexyl]methyl]hydroxylamine is a drug-like molecule.
| MolName | N-[2,3-dihydro-1,4-benzodioxin-6-yl-[(2Z,3E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-hydroxyiminocyclohexyl]methyl]hydroxylamine |
| MolecularFormula | C24H26N2O6 |
| Smiles | ONC(C(CCC/C1=C\c(cc2)cc3c2OCCO3)/C1=N/O)c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C24H26N2O6/c27-25-23-16(12-15-4-6-19-21(13-15)31-10-8-29-19)2-1-3-18(23)24(26-28)17-5-7-20-22(14-17)32-11-9-30-20/h4-7,12-14,18,24,26-28H,1-3,8-11H2 |
| InChIK | ZADFIWXFBWJWOZ-UHFFFAOYSA-N |
| TotalMolweight | 438.478 |
| Molweight | 438.478 |
| MonoisotopicMass | 438.179088 |
| CLogP | 3.7965 |
| CLogS | -4.957 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 325.68 |
| Relative PSA | 0.2738 |
| PolarSurfaceArea | 101.77 |
| Druglikeness | -9.449 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 16 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - N-[2,3-dihydro-1,4-benzodioxin-6-yl-[(2Z,3E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-hydroxyiminocyclohexyl]methyl]hydroxylamine | 2 - N-[2,3-dihydro-1,4-benzodioxin-6-yl-[(2Z,3E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-hydroxyiminocyclohexyl]methyl]hydroxylamine
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