2-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]-4-nitrophenolate
Formula:C19H14N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]-4-nitrophenolate is a drug-like molecule.
| MolName | 2-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]-4-nitrophenolate |
| MolecularFormula | C19H14N3O5 |
| Smiles | [O-]c(cc1)c(/C=N\NC(COc2cccc3ccccc23)=O)cc1[N+]([O-])=O |
| InChI | InChI=1S/C19H15N3O5/c23-17-9-8-15(22(25)26)10-14(17)11-20-21-19(24)12-27-18-7-3-5-13-4-1-2-6-16(13)18/h1-11,23H,12H2,(H,21,24)/p-1 |
| InChIK | YNZMJZXDTNEJKQ-UHFFFAOYSA-M |
| TotalMolweight | 364.336 |
| Molweight | 364.336 |
| MonoisotopicMass | 364.093347 |
| CLogP | 1.1256 |
| CLogS | -5.271 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 276.55 |
| Relative PSA | 0.32801 |
| PolarSurfaceArea | 119.57 |
| Druglikeness | -0.93382 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]-4-nitrophenolate | 2 - 2-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]-4-nitrophenolate
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