2-(2-cyanophenoxy)-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]acetamide
Formula:C16H12N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2-cyanophenoxy)-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2-cyanophenoxy)-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C16H12N4O5 |
| Smiles | N#Cc(cccc1)c1OCC(N/N=C\c(cc1)cc(O)c1[N+]([O-])=O)=O |
| InChI | InChI=1S/C16H12N4O5/c17-8-12-3-1-2-4-15(12)25-10-16(22)19-18-9-11-5-6-13(20(23)24)14(21)7-11/h1-7,9,21H,10H2,(H,19,22) |
| InChIK | DDERTDAQATUSAG-UHFFFAOYSA-N |
| TotalMolweight | 340.294 |
| Molweight | 340.294 |
| MonoisotopicMass | 340.080771 |
| CLogP | 1.3448 |
| CLogS | -4.438 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 262.48 |
| Relative PSA | 0.39275 |
| PolarSurfaceArea | 140.53 |
| Druglikeness | -5.2138 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(2-cyanophenoxy)-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]acetamide | 2 - 2-(2-cyanophenoxy)-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]acetamide
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