(Z)-1-[5-nitro-2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
Formula:C17H15N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[5-nitro-2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-[5-nitro-2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine |
| MolecularFormula | C17H15N5O4 |
| Smiles | [O-][N+](c(cc1)cc(/C=N\n2cnnc2)c1OCCOc1ccccc1)=O |
| InChI | InChI=1S/C17H15N5O4/c23-22(24)15-6-7-17(14(10-15)11-20-21-12-18-19-13-21)26-9-8-25-16-4-2-1-3-5-16/h1-7,10-13H,8-9H2 |
| InChIK | FLRHBKAPYNRXJX-UHFFFAOYSA-N |
| TotalMolweight | 353.337 |
| Molweight | 353.337 |
| MonoisotopicMass | 353.112405 |
| CLogP | 1.6617 |
| CLogS | -6.038 |
| H Acceptors | 9 |
| TotalSurfaceArea | 275.45 |
| Relative PSA | 0.32942 |
| PolarSurfaceArea | 107.35 |
| Druglikeness | -9.0391 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (Z)-1-[5-nitro-2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-[5-nitro-2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
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