4-nitro-2-[(Z)-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]hydrazinylidene]methyl]phenolate
Formula:C21H18N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-2-[(Z)-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]hydrazinylidene]methyl]phenolate is a drug-like molecule.
| MolName | 4-nitro-2-[(Z)-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]hydrazinylidene]methyl]phenolate |
| MolecularFormula | C21H18N3O6 |
| Smiles | [O-]c(cc1)c(/C=N\NC(COc(cc2)cc3c2oc2c3CCCC2)=O)cc1[N+]([O-])=O |
| InChI | InChI=1S/C21H19N3O6/c25-18-7-5-14(24(27)28)9-13(18)11-22-23-21(26)12-29-15-6-8-20-17(10-15)16-3-1-2-4-19(16)30-20/h5-11,25H,1-4,12H2,(H,23,26)/p-1 |
| InChIK | DONGMTPMHLZOBH-UHFFFAOYSA-M |
| TotalMolweight | 408.389 |
| Molweight | 408.389 |
| MonoisotopicMass | 408.119562 |
| CLogP | 1.5936 |
| CLogS | -5.94 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 307.78 |
| Relative PSA | 0.34057 |
| PolarSurfaceArea | 132.71 |
| Druglikeness | -5.692 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-nitro-2-[(Z)-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]hydrazinylidene]methyl]phenolate | 2 - 4-nitro-2-[(Z)-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]hydrazinylidene]methyl]phenolate
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