N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
Formula:C16H13N7O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide |
| MolecularFormula | C16H13N7O4 |
| Smiles | [O-][N+](c(cc1)c(/C=N\NC(Cn2nnc(-c3ccccc3)n2)=O)cc1O)=O |
| InChI | InChI=1S/C16H13N7O4/c24-13-6-7-14(23(26)27)12(8-13)9-17-18-15(25)10-22-20-16(19-21-22)11-4-2-1-3-5-11/h1-9,24H,10H2,(H,18,25) |
| InChIK | HSSDQTYMAYLIGO-UHFFFAOYSA-N |
| TotalMolweight | 367.324 |
| Molweight | 367.324 |
| MonoisotopicMass | 367.102903 |
| CLogP | 1.2456 |
| CLogS | -3.953 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 276.01 |
| Relative PSA | 0.43227 |
| PolarSurfaceArea | 151.11 |
| Druglikeness | -4.1295 |
| 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 | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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